2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid

C15H19NO4 — CID 119223456

IUPAC2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OCC2CC2)cc1)C(=O)O
InChIInChI=1S/C15H19NO4/c1-2-13(15(18)19)16-14(17)11-5-7-12(8-6-11)20-9-10-3-4-10/h5-8,10,13H,2-4,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMPQADCZRSWYATG-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds7

About 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid

2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid (PubChem CID 119223456) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
PubChem CID119223456
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OCC2CC2)cc1)C(=O)O
InChIInChI=1S/C15H19NO4/c1-2-13(15(18)19)16-14(17)11-5-7-12(8-6-11)20-9-10-3-4-10/h5-8,10,13H,2-4,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMPQADCZRSWYATG-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide
CID 94811395
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 43387436
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid (CID 119223456) is 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccc(OCC2CC2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid?
The InChIKey is MPQADCZRSWYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-13(15(18)19)16-14(17)11-5-7-12(8-6-11)20-9-10-3-4-10/h5-8,10,13H,2-4,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid?
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid is sourced from PubChem (CID 119223456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).