4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid

C9H18N2O5 — CID 103157306

IUPAC4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid
SMILESCOCC(N)C(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C9H18N2O5/c1-15-5-7(10)9(14)11-4-6(16-2)3-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyXHNWMTBHHNRDAF-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.43
Rot. Bonds8

About 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid

4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid (PubChem CID 103157306) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid
PubChem CID103157306
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid
SMILESCOCC(N)C(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C9H18N2O5/c1-15-5-7(10)9(14)11-4-6(16-2)3-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyXHNWMTBHHNRDAF-UHFFFAOYSA-N
XLogP-1.43
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminobutanoylamino)-3-methoxybutanoic acid
CID 103157192
4-[[(2S)-2-aminohexanoyl]amino]-3-methoxybutanoic acid
CID 107146780
4-(2-aminohexanoylamino)-3-methoxybutanoic acid
CID 103157210
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid
CID 103157035
3-amino-4-(2,2-dimethoxyethylamino)-4-oxobutanoic acid
CID 64896338
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-methoxybutanoic acid
CID 107472865
3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 103158828
4-(4-aminopentanoylamino)-3-methoxybutanoic acid
CID 103157265
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774
5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
CID 81088250

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid (CID 103157306) is 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid is COCC(N)C(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid?
The InChIKey is XHNWMTBHHNRDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-15-5-7(10)9(14)11-4-6(16-2)3-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid?
4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid has a molecular weight of 234.25 g/mol, XLogP of -1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103157306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).