2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid

C14H17N3O4 — CID 62697537

IUPAC2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
SMILESNc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H17N3O4/c15-10-5-3-9(4-6-10)13(19)16-7-11(18)17-12(14(20)21)8-1-2-8/h3-6,8,12H,1-2,7,15H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyKVEIJRFXQXFVRR-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.02
Rot. Bonds6

About 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid

2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid (PubChem CID 62697537) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
PubChem CID62697537
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
SMILESNc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H17N3O4/c15-10-5-3-9(4-6-10)13(19)16-7-11(18)17-12(14(20)21)8-1-2-8/h3-6,8,12H,1-2,7,15H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyKVEIJRFXQXFVRR-UHFFFAOYSA-N
XLogP-0.02
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 120521115
(2R)-2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80751377
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62696891
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]butanoic acid
CID 61161200
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62694994
2-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547563
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid (CID 62697537) is 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid is Nc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid?
The InChIKey is KVEIJRFXQXFVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-10-5-3-9(4-6-10)13(19)16-7-11(18)17-12(14(20)21)8-1-2-8/h3-6,8,12H,1-2,7,15H2,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid?
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid has a molecular weight of 291.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).