2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

C14H17N3O4 — CID 62695436

IUPAC2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESNC(=O)c1ccc(NC(=O)CNC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H17N3O4/c15-13(19)9-3-5-10(6-4-9)17-11(18)7-16-12(14(20)21)8-1-2-8/h3-6,8,12,16H,1-2,7H2,(H2,15,19)(H,17,18)(H,20,21)
InChIKeyASRUUFHHSSQHHC-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.18
Rot. Bonds7

About 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62695436) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62695436
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESNC(=O)c1ccc(NC(=O)CNC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H17N3O4/c15-13(19)9-3-5-10(6-4-9)17-11(18)7-16-12(14(20)21)8-1-2-8/h3-6,8,12,16H,1-2,7H2,(H2,15,19)(H,17,18)(H,20,21)
InChIKeyASRUUFHHSSQHHC-UHFFFAOYSA-N
XLogP0.18
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467013
2-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696976
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696180
2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697185
2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043
2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
CID 62696371
2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 62696962
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
4-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 37474850
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62695436) is 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is NC(=O)c1ccc(NC(=O)CNC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is ASRUUFHHSSQHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-13(19)9-3-5-10(6-4-9)17-11(18)7-16-12(14(20)21)8-1-2-8/h3-6,8,12,16H,1-2,7H2,(H2,15,19)(H,17,18)(H,20,21).
What are the key properties of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 291.31 g/mol, XLogP of 0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).