4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid

C11H22N2O3 — CID 61160723

IUPAC4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid
SMILESCC(N)CC(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)13(6-4-5-11(15)16)10(14)7-9(3)12/h8-9H,4-7,12H2,1-3H3,(H,15,16)
InChIKeyPEQSIKVYDPALKF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds7

About 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid

4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid (PubChem CID 61160723) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid
PubChem CID61160723
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid
SMILESCC(N)CC(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)13(6-4-5-11(15)16)10(14)7-9(3)12/h8-9H,4-7,12H2,1-3H3,(H,15,16)
InChIKeyPEQSIKVYDPALKF-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3,3-dimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 76894241
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125
4-[3-(4-aminophenyl)propanoyl-propan-2-ylamino]butanoic acid
CID 115341317
3-[3-ethylpentanoyl(propan-2-yl)amino]propanoic acid
CID 120520184
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 65269921
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
(6S)-6-aminoheptanoic acid
CID 54134193
4-[(2-amino-5-methoxypentanoyl)-propan-2-ylamino]butanoic acid
CID 81089259

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid (CID 61160723) is 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid is CC(N)CC(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid?
The InChIKey is PEQSIKVYDPALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)13(6-4-5-11(15)16)10(14)7-9(3)12/h8-9H,4-7,12H2,1-3H3,(H,15,16).
What are the key properties of 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid?
4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 61160723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).