4-(carboxymethylamino)butanoic acid

C6H11NO4 — CID 10631798

IUPAC4-(carboxymethylamino)butanoic acid
SMILESO=C(O)CCCNCC(=O)O
InChIInChI=1S/C6H11NO4/c8-5(9)2-1-3-7-4-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)
InChIKeyLORSKKAGSYQQSO-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.47
Rot. Bonds6

About 4-(carboxymethylamino)butanoic acid

4-(carboxymethylamino)butanoic acid (PubChem CID 10631798) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(carboxymethylamino)butanoic acid.

Molecular Properties

Compound Name4-(carboxymethylamino)butanoic acid
PubChem CID10631798
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-(carboxymethylamino)butanoic acid
SMILESO=C(O)CCCNCC(=O)O
InChIInChI=1S/C6H11NO4/c8-5(9)2-1-3-7-4-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)
InChIKeyLORSKKAGSYQQSO-UHFFFAOYSA-N
XLogP-0.47
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(Carboxymethyl)-beta-alanine
CID 281622
4-((2-Carboxyethyl)amino)butanoic acid
CID 2572
Succinylglycine
CID 14954082
2-[(Carboxymethyl)amino]butanoic acid
CID 21643693
4-(Ethylamino)butanoic acid hydrochloride
CID 71357190
4,4-Bis(N,N-dibutyric acid)
CID 4072500
4-(Propylamino)butanoic acid
CID 16769183
Diethyl-iminodiacetic acid
CID 23371094
4-((1-Carboxyethyl)amino)butanoic acid
CID 66174337
N-[1-(r)-(carboxy)ethyl]-(s)-2-aminobutyric acid
CID 87693750
Butanoic acid, 4-[bis(carboxymethyl)amino]-
CID 4685140
4-(Ethylamino)butanoic acid
CID 13082753

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethylamino)butanoic acid?
The IUPAC name of 4-(carboxymethylamino)butanoic acid (CID 10631798) is 4-(carboxymethylamino)butanoic acid.
What is the SMILES notation for 4-(carboxymethylamino)butanoic acid?
The canonical SMILES for 4-(carboxymethylamino)butanoic acid is O=C(O)CCCNCC(=O)O.
What is the InChIKey of 4-(carboxymethylamino)butanoic acid?
The InChIKey is LORSKKAGSYQQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-5(9)2-1-3-7-4-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11).
What are the key properties of 4-(carboxymethylamino)butanoic acid?
4-(carboxymethylamino)butanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethylamino)butanoic acid is sourced from PubChem (CID 10631798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).