4-(pyridin-4-ylcarbamoylamino)butanoic acid

C10H13N3O3 — CID 108892691

IUPAC4-(pyridin-4-ylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1ccncc1
InChIInChI=1S/C10H13N3O3/c14-9(15)2-1-5-12-10(16)13-8-3-6-11-7-4-8/h3-4,6-7H,1-2,5H2,(H,14,15)(H2,11,12,13,16)
InChIKeyDMXMQIXLVKPQOH-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.07
Rot. Bonds5

About 4-(pyridin-4-ylcarbamoylamino)butanoic acid

4-(pyridin-4-ylcarbamoylamino)butanoic acid (PubChem CID 108892691) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(pyridin-4-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(pyridin-4-ylcarbamoylamino)butanoic acid
PubChem CID108892691
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(pyridin-4-ylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1ccncc1
InChIInChI=1S/C10H13N3O3/c14-9(15)2-1-5-12-10(16)13-8-3-6-11-7-4-8/h3-4,6-7H,1-2,5H2,(H,14,15)(H2,11,12,13,16)
InChIKeyDMXMQIXLVKPQOH-UHFFFAOYSA-N
XLogP1.07
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-iodophenyl)carbamoylamino]butanoic acid
CID 61185530
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
4-(imidazo[1,2-a]pyridin-7-ylcarbamoylamino)butanoic acid
CID 122092334
4-[(3,5-dihydroxyphenyl)carbamoylamino]butanoic acid
CID 108895385
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
4-[(3,4-dicyanophenyl)carbamoylamino]butanoic acid
CID 107792046
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]butanoic acid
CID 122077972
6-[(2,3-dimethylquinoxalin-6-yl)carbamoylamino]hexanoic acid
CID 108885495
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(pyridin-4-ylcarbamoylamino)butanoic acid (CID 108892691) is 4-(pyridin-4-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(pyridin-4-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(pyridin-4-ylcarbamoylamino)butanoic acid is O=C(O)CCCNC(=O)Nc1ccncc1.
What is the InChIKey of 4-(pyridin-4-ylcarbamoylamino)butanoic acid?
The InChIKey is DMXMQIXLVKPQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(15)2-1-5-12-10(16)13-8-3-6-11-7-4-8/h3-4,6-7H,1-2,5H2,(H,14,15)(H2,11,12,13,16).
What are the key properties of 4-(pyridin-4-ylcarbamoylamino)butanoic acid?
4-(pyridin-4-ylcarbamoylamino)butanoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 108892691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).