(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid

C14H19NO5 — CID 97234234

IUPAC(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
SMILESCOc1cccc(COCC(=O)N[C@H](C)CC(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-10(6-14(17)18)15-13(16)9-20-8-11-4-3-5-12(7-11)19-2/h3-5,7,10H,6,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyDVACXDILRIZFFF-SNVBAGLBSA-N
MW281.31 g/mol
LogP1.19
Rot. Bonds8

About (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid

(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid (PubChem CID 97234234) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
PubChem CID97234234
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
SMILESCOc1cccc(COCC(=O)N[C@H](C)CC(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-10(6-14(17)18)15-13(16)9-20-8-11-4-3-5-12(7-11)19-2/h3-5,7,10H,6,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyDVACXDILRIZFFF-SNVBAGLBSA-N
XLogP1.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyphenyl)methoxy]butanoic acid
CID 43536105
2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
CID 97086495
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
N-(4-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24708109
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
N-(3-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24701706
N-[3-(aminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]acetamide
CID 43823143
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid?
The IUPAC name of (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid (CID 97234234) is (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid.
What is the SMILES notation for (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid?
The canonical SMILES for (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid is COc1cccc(COCC(=O)N[C@H](C)CC(=O)O)c1.
What is the InChIKey of (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid?
The InChIKey is DVACXDILRIZFFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(6-14(17)18)15-13(16)9-20-8-11-4-3-5-12(7-11)19-2/h3-5,7,10H,6,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid?
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid is sourced from PubChem (CID 97234234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).