4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid

C14H21N3O4 — CID 61186550

IUPAC4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCOc1ccc(NC(=O)N(CCCC(=O)O)C(C)C)cn1
InChIInChI=1S/C14H21N3O4/c1-10(2)17(8-4-5-13(18)19)14(20)16-11-6-7-12(21-3)15-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLAYCHLGCZILIRC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.20
Rot. Bonds7

About 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid

4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid (PubChem CID 61186550) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
PubChem CID61186550
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCOc1ccc(NC(=O)N(CCCC(=O)O)C(C)C)cn1
InChIInChI=1S/C14H21N3O4/c1-10(2)17(8-4-5-13(18)19)14(20)16-11-6-7-12(21-3)15-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLAYCHLGCZILIRC-UHFFFAOYSA-N
XLogP2.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 60827606
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
CID 61186914
3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61184948
dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide
CID 14304482
3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea
CID 95772256
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61198142
4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61205269
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
4-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61200589
4-[(4-fluoro-2-methylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61191254
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid (CID 61186550) is 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid is COc1ccc(NC(=O)N(CCCC(=O)O)C(C)C)cn1.
What is the InChIKey of 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid?
The InChIKey is LAYCHLGCZILIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(2)17(8-4-5-13(18)19)14(20)16-11-6-7-12(21-3)15-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid?
4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61186550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).