2-[4-(methylamino)butanoylamino]butanoic acid

C9H18N2O3 — CID 61161586

IUPAC2-[4-(methylamino)butanoylamino]butanoic acid
SMILESCCC(NC(=O)CCCNC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(9(13)14)11-8(12)5-4-6-10-2/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyRUBDPXRUUKKZRL-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.03
Rot. Bonds7

About 2-[4-(methylamino)butanoylamino]butanoic acid

2-[4-(methylamino)butanoylamino]butanoic acid (PubChem CID 61161586) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[4-(methylamino)butanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[4-(methylamino)butanoylamino]butanoic acid
PubChem CID61161586
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[4-(methylamino)butanoylamino]butanoic acid
SMILESCCC(NC(=O)CCCNC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(9(13)14)11-8(12)5-4-6-10-2/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyRUBDPXRUUKKZRL-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.03
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

(2R)-4-amino-2-[4-(methylamino)butanoylamino]-4-oxobutanoic acid
CID 103870299
2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
CID 119223676
(2S)-3-methyl-2-[4-(methylamino)butanoylamino]pentanoic acid
CID 61174333
(2S)-2-(7-sulfanylheptanoylamino)butanoic acid
CID 155171272
2-[4-(cyclopropanecarbonylamino)butanoylamino]butanoic acid
CID 119224160
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
3,3-dimethyl-2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161007
2-(octadec-9-enoylamino)butanoic acid
CID 85040613
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
methyl (2S)-4-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 113358137

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)butanoylamino]butanoic acid?
The IUPAC name of 2-[4-(methylamino)butanoylamino]butanoic acid (CID 61161586) is 2-[4-(methylamino)butanoylamino]butanoic acid.
What is the SMILES notation for 2-[4-(methylamino)butanoylamino]butanoic acid?
The canonical SMILES for 2-[4-(methylamino)butanoylamino]butanoic acid is CCC(NC(=O)CCCNC)C(=O)O.
What is the InChIKey of 2-[4-(methylamino)butanoylamino]butanoic acid?
The InChIKey is RUBDPXRUUKKZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7(9(13)14)11-8(12)5-4-6-10-2/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(methylamino)butanoylamino]butanoic acid?
2-[4-(methylamino)butanoylamino]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)butanoylamino]butanoic acid is sourced from PubChem (CID 61161586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).