2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid

C20H27N3O5 — CID 119224629

IUPAC2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
SMILESCC(CC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1)NC(=O)C1CCCC1
InChIInChI=1S/C20H27N3O5/c1-13(22-20(28)15-4-2-3-5-15)10-18(25)23-16-8-6-14(7-9-16)11-17(24)21-12-19(26)27/h6-9,13,15H,2-5,10-12H2,1H3,(H,21,24)(H,22,28)(H,23,25)(H,26,27)
InChIKeyNRSFFWBWXDIKGQ-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.45
Rot. Bonds9

About 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224629) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
PubChem CID119224629
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
SMILESCC(CC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1)NC(=O)C1CCCC1
InChIInChI=1S/C20H27N3O5/c1-13(22-20(28)15-4-2-3-5-15)10-18(25)23-16-8-6-14(7-9-16)11-17(24)21-12-19(26)27/h6-9,13,15H,2-5,10-12H2,1H3,(H,21,24)(H,22,28)(H,23,25)(H,26,27)
InChIKeyNRSFFWBWXDIKGQ-UHFFFAOYSA-N
XLogP1.45
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 75425431
2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224346
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
2-[[2-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224615
2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224317
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
N-[4-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]anilino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120566792
2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
CID 119220363
2-[[2-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224466
N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111102571

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid (CID 119224629) is 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid is CC(CC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1)NC(=O)C1CCCC1.
What is the InChIKey of 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid?
The InChIKey is NRSFFWBWXDIKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13(22-20(28)15-4-2-3-5-15)10-18(25)23-16-8-6-14(7-9-16)11-17(24)21-12-19(26)27/h6-9,13,15H,2-5,10-12H2,1H3,(H,21,24)(H,22,28)(H,23,25)(H,26,27).
What are the key properties of 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid has a molecular weight of 389.45 g/mol, XLogP of 1.45, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).