4-(4-aminopentanoylamino)-3-methoxybutanoic acid

C10H20N2O4 — CID 103157265

IUPAC4-(4-aminopentanoylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)CCC(C)N)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(11)3-4-9(13)12-6-8(16-2)5-10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVQWRWKQSKXKSOG-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.28
Rot. Bonds8

About 4-(4-aminopentanoylamino)-3-methoxybutanoic acid

4-(4-aminopentanoylamino)-3-methoxybutanoic acid (PubChem CID 103157265) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(4-aminopentanoylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(4-aminopentanoylamino)-3-methoxybutanoic acid
PubChem CID103157265
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-(4-aminopentanoylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)CCC(C)N)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(11)3-4-9(13)12-6-8(16-2)5-10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVQWRWKQSKXKSOG-UHFFFAOYSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
3-methoxy-4-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 103153021
4-(2-aminobutanoylamino)-3-methoxybutanoic acid
CID 103157192
4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid
CID 103157306
3-methoxy-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 103153072
4-(2-aminohexanoylamino)-3-methoxybutanoic acid
CID 103157210
4-[[(2S)-2-aminohexanoyl]amino]-3-methoxybutanoic acid
CID 107146780
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
4-[(4-amino-4-oxobutyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158686
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopentanoylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(4-aminopentanoylamino)-3-methoxybutanoic acid (CID 103157265) is 4-(4-aminopentanoylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(4-aminopentanoylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(4-aminopentanoylamino)-3-methoxybutanoic acid is COC(CNC(=O)CCC(C)N)CC(=O)O.
What is the InChIKey of 4-(4-aminopentanoylamino)-3-methoxybutanoic acid?
The InChIKey is VQWRWKQSKXKSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(11)3-4-9(13)12-6-8(16-2)5-10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(4-aminopentanoylamino)-3-methoxybutanoic acid?
4-(4-aminopentanoylamino)-3-methoxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopentanoylamino)-3-methoxybutanoic acid is sourced from PubChem (CID 103157265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).