4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid

C14H28N2O3 — CID 65269921

IUPAC4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H28N2O3/c1-10(2)16(9-7-8-11(17)18)12(19)13(3,4)14(5,6)15/h10H,7-9,15H2,1-6H3,(H,17,18)
InChIKeyVMIHVOLOMINVLL-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.85
Rot. Bonds7

About 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid

4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid (PubChem CID 65269921) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid
PubChem CID65269921
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H28N2O3/c1-10(2)16(9-7-8-11(17)18)12(19)13(3,4)14(5,6)15/h10H,7-9,15H2,1-6H3,(H,17,18)
InChIKeyVMIHVOLOMINVLL-UHFFFAOYSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid
CID 61161104
4-[2,2-dimethylbutanoyl(propan-2-yl)amino]butanoic acid
CID 62679528
4-[(2-amino-3,3-dimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 76894241
4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid
CID 103018314
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
CID 65269662
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid
CID 61160723
3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid
CID 61162059
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198
4-[(3,5-dimethylbenzoyl)-propan-2-ylamino]butanoic acid
CID 60830753

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid (CID 65269921) is 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid?
The InChIKey is VMIHVOLOMINVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)16(9-7-8-11(17)18)12(19)13(3,4)14(5,6)15/h10H,7-9,15H2,1-6H3,(H,17,18).
What are the key properties of 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid?
4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 65269921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).