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

C27H32N2O6 — CID 165459469

IUPAC2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid
SMILESCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C27H32N2O6/c1-34-17-23(25(32)29-27(15-24(30)31)13-7-2-8-14-27)28-26(33)35-16-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,22-23H,2,7-8,13-17H2,1H3,(H,28,33)(H,29,32)(H,30,31)/t23-/m0/s1
InChIKeyYXPQMTVRUQYKLZ-QHCPKHFHSA-N
MW480.56 g/mol
LogP3.83
Rot. Bonds9

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

2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid (PubChem CID 165459469) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid
PubChem CID165459469
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid
SMILESCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C27H32N2O6/c1-34-17-23(25(32)29-27(15-24(30)31)13-7-2-8-14-27)28-26(33)35-16-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,22-23H,2,7-8,13-17H2,1H3,(H,28,33)(H,29,32)(H,30,31)/t23-/m0/s1
InChIKeyYXPQMTVRUQYKLZ-QHCPKHFHSA-N
XLogP3.83
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 165463816
cis-(1R,2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexane-1-carboxylic acid
CID 178192979
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylcyclohexyl)propanoic acid
CID 165485041
4-[3-[(4-chlorophenyl)methyl]-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]piperidin-1-yl]-3-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoic acid
CID 146584346
4-[[(1R)-1-cycloheptylethyl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
CID 165482390
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)thian-4-yl]acetic acid
CID 17040197
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid
CID 165471606
2-[1-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]cyclopropyl]acetic acid
CID 178196369
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid (CID 165459469) is 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid is COC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid?
The InChIKey is YXPQMTVRUQYKLZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-34-17-23(25(32)29-27(15-24(30)31)13-7-2-8-14-27)28-26(33)35-16-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,22-23H,2,7-8,13-17H2,1H3,(H,28,33)(H,29,32)(H,30,31)/t23-/m0/s1.
What are the key properties of 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid?
2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid has a molecular weight of 480.56 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 165459469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).