4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid

C10H14N4O4 — CID 122092499

IUPAC4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid
SMILESCOc1cnc(NC(=O)NCCCC(=O)O)nc1
InChIInChI=1S/C10H14N4O4/c1-18-7-5-12-9(13-6-7)14-10(17)11-4-2-3-8(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14,17)
InChIKeyVXOGIQQECRONGU-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.47
Rot. Bonds6

About 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid

4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid (PubChem CID 122092499) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid
PubChem CID122092499
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid
SMILESCOc1cnc(NC(=O)NCCCC(=O)O)nc1
InChIInChI=1S/C10H14N4O4/c1-18-7-5-12-9(13-6-7)14-10(17)11-4-2-3-8(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14,17)
InChIKeyVXOGIQQECRONGU-UHFFFAOYSA-N
XLogP0.47
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]butanoic acid
CID 122022440
4-[(4-methoxy-2-methoxycarbonylphenyl)carbamoylamino]butanoic acid
CID 122087871
4-[[4-(dimethylamino)-6-methoxypyrimidin-5-yl]carbamoylamino]butanoic acid
CID 122087086
4-[[5-(difluoromethoxy)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122094152
4-[(3,5-dichloro-4-methoxyphenyl)carbamoylamino]butanoic acid
CID 122078626
ethyl N-(5-methoxypyrimidin-2-yl)carbamate
CID 4159152
4-[(3-methylperoxyphenyl)carbamoylamino]butanoic acid
CID 88964429
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid
CID 122094954
4-[(4-bromo-3-methoxyphenyl)carbamoylamino]butanoic acid
CID 82859610
4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 122088969

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid (CID 122092499) is 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid is COc1cnc(NC(=O)NCCCC(=O)O)nc1.
What is the InChIKey of 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid?
The InChIKey is VXOGIQQECRONGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-18-7-5-12-9(13-6-7)14-10(17)11-4-2-3-8(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14,17).
What are the key properties of 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid?
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid has a molecular weight of 254.25 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122092499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).