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

C12H15N3O4 — CID 43467013

IUPAC2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)O
InChIInChI=1S/C12H15N3O4/c1-7(12(18)19)14-6-10(16)15-9-4-2-8(3-5-9)11(13)17/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16)(H,18,19)
InChIKeyZNHAXYYWDPSYPR-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.21
Rot. Bonds6

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

2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 43467013) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID43467013
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)O
InChIInChI=1S/C12H15N3O4/c1-7(12(18)19)14-6-10(16)15-9-4-2-8(3-5-9)11(13)17/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16)(H,18,19)
InChIKeyZNHAXYYWDPSYPR-UHFFFAOYSA-N
XLogP-0.21
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695436
(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83193372
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
CID 43545551
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194447
2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914138
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid (CID 43467013) is 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid is CC(NCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is ZNHAXYYWDPSYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7(12(18)19)14-6-10(16)15-9-4-2-8(3-5-9)11(13)17/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16)(H,18,19).
What are the key properties of 2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid?
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 265.27 g/mol, XLogP of -0.21, 6 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]propanoic acid is sourced from PubChem (CID 43467013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).