3-[2-aminopropanoyl(ethyl)amino]butanoic acid

C9H18N2O3 — CID 62825878

IUPAC3-[2-aminopropanoyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)C(C)N)C(C)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-11(9(14)7(3)10)6(2)5-8(12)13/h6-7H,4-5,10H2,1-3H3,(H,12,13)
InChIKeyZZKJOTWZQBPCQV-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.05
Rot. Bonds5

About 3-[2-aminopropanoyl(ethyl)amino]butanoic acid

3-[2-aminopropanoyl(ethyl)amino]butanoic acid (PubChem CID 62825878) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[2-aminopropanoyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[2-aminopropanoyl(ethyl)amino]butanoic acid
PubChem CID62825878
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[2-aminopropanoyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)C(C)N)C(C)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-11(9(14)7(3)10)6(2)5-8(12)13/h6-7H,4-5,10H2,1-3H3,(H,12,13)
InChIKeyZZKJOTWZQBPCQV-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide
CID 61145665
3-[ethyl(2-propylpentanoyl)amino]butanoic acid
CID 82984536
3-[ethyl(prop-2-ynoyl)amino]butanoic acid
CID 62821571
3-[4-aminobutanoyl(ethyl)amino]butanoic acid
CID 62826769
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]butanoic acid
CID 62825560
3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 55123096
3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
CID 62821545
3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid
CID 62821555
3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 62826800
2-amino-N-ethyl-N-(2-methylpropyl)propanamide
CID 43273810

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminopropanoyl(ethyl)amino]butanoic acid?
The IUPAC name of 3-[2-aminopropanoyl(ethyl)amino]butanoic acid (CID 62825878) is 3-[2-aminopropanoyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 3-[2-aminopropanoyl(ethyl)amino]butanoic acid?
The canonical SMILES for 3-[2-aminopropanoyl(ethyl)amino]butanoic acid is CCN(C(=O)C(C)N)C(C)CC(=O)O.
What is the InChIKey of 3-[2-aminopropanoyl(ethyl)amino]butanoic acid?
The InChIKey is ZZKJOTWZQBPCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-11(9(14)7(3)10)6(2)5-8(12)13/h6-7H,4-5,10H2,1-3H3,(H,12,13).
What are the key properties of 3-[2-aminopropanoyl(ethyl)amino]butanoic acid?
3-[2-aminopropanoyl(ethyl)amino]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminopropanoyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 62825878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).