3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid

C15H22N2O4 — CID 62827525

IUPAC3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)Nc1cccc(COC)c1)C(C)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-17(11(2)8-14(18)19)15(20)16-13-7-5-6-12(9-13)10-21-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyHHPMMUZGPVCKLS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.55
Rot. Bonds7

About 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid

3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid (PubChem CID 62827525) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid
PubChem CID62827525
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)Nc1cccc(COC)c1)C(C)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-17(11(2)8-14(18)19)15(20)16-13-7-5-6-12(9-13)10-21-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyHHPMMUZGPVCKLS-UHFFFAOYSA-N
XLogP2.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345731
3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid
CID 115378513
3-[ethyl-[(3-ethynylphenyl)carbamoyl]amino]butanoic acid
CID 62827496
2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 62637949
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
(3S)-5-[3-(methoxymethyl)anilino]-5-oxo-3-phenylpentanoic acid
CID 100816000
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
3-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 61192789
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
CID 111113064
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
3-[3-(methoxymethyl)anilino]-2-methylbutanoic acid
CID 79392392

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid (CID 62827525) is 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid is CCN(C(=O)Nc1cccc(COC)c1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid?
The InChIKey is HHPMMUZGPVCKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(11(2)8-14(18)19)15(20)16-13-7-5-6-12(9-13)10-21-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid?
3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 62827525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).