2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid

C24H24N4O6 — CID 165460209

IUPAC2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C24H24N4O6/c1-33-14-21(23(31)26-15-10-25-28(11-15)12-22(29)30)27-24(32)34-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,20-21H,12-14H2,1H3,(H,26,31)(H,27,32)(H,29,30)/t21-/m0/s1
InChIKeyQKRVIPYYTRGNTM-NRFANRHFSA-N
MW464.48 g/mol
LogP2.46
Rot. Bonds9

About 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 165460209) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID165460209
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C24H24N4O6/c1-33-14-21(23(31)26-15-10-25-28(11-15)12-22(29)30)27-24(32)34-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,20-21H,12-14H2,1H3,(H,26,31)(H,27,32)(H,29,30)/t21-/m0/s1
InChIKeyQKRVIPYYTRGNTM-NRFANRHFSA-N
XLogP2.46
TPSA131.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 178199098
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
9H-fluoren-9-ylmethyl N-[4-(3-methoxypropylamino)-1-(methylamino)-1,4-dioxobutan-2-yl]carbamate
CID 91058630
4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]benzoic acid
CID 11113866
1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 165463816
9H-fluoren-9-ylmethyl N-(1-anilino-3-methyl-1-oxobutan-2-yl)carbamate
CID 14440771
cis-(1R,2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexane-1-carboxylic acid
CID 178192979
2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid
CID 165459469
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 167170098
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-3-methoxypropanoic acid
CID 165448330
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 172529557

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid (CID 165460209) is 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid is COC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is QKRVIPYYTRGNTM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-33-14-21(23(31)26-15-10-25-28(11-15)12-22(29)30)27-24(32)34-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,20-21H,12-14H2,1H3,(H,26,31)(H,27,32)(H,29,30)/t21-/m0/s1.
What are the key properties of 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 464.48 g/mol, XLogP of 2.46, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 165460209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).