2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid

C26H30N2O6 — CID 165447315

IUPAC2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid
SMILESCOCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C26H30N2O6/c1-26(24(30)31,16-11-12-16)28-23(29)22(13-14-33-2)27-25(32)34-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21-22H,11-15H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)
InChIKeyMVXNHCVGIFKSPI-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.30
Rot. Bonds10

About 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid

2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid (PubChem CID 165447315) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid
PubChem CID165447315
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid
SMILESCOCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C26H30N2O6/c1-26(24(30)31,16-11-12-16)28-23(29)22(13-14-33-2)27-25(32)34-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21-22H,11-15H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)
InChIKeyMVXNHCVGIFKSPI-UHFFFAOYSA-N
XLogP3.30
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid with MolForge

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Related Compounds

2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(2-phenylpropan-2-ylamino)pentanoic acid
CID 67332837
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoyl]amino]-3,3-dimethylbutanoic acid
CID 165460320
5-(2-cyclopropylpropan-2-ylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 10671264
(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178192017
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxy-5-methylhexanoic acid
CID 103033871
3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoic acid
CID 165483758
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 171366002
methyl 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-ynoyl]amino]-2-methylpropanoate
CID 71725500

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid (CID 165447315) is 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid is COCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid?
The InChIKey is MVXNHCVGIFKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-26(24(30)31,16-11-12-16)28-23(29)22(13-14-33-2)27-25(32)34-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21-22H,11-15H2,1-2H3,(H,27,32)(H,28,29)(H,30,31).
What are the key properties of 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid has a molecular weight of 466.53 g/mol, XLogP of 3.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]amino]propanoic acid is sourced from PubChem (CID 165447315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).