4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid

C12H24N2O3 — CID 65267384

IUPAC4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-8(6-7-9(15)16)14-10(17)11(2,3)12(4,5)13/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyBRPCNVYDAJHIMV-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds6

About 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid

4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid (PubChem CID 65267384) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid
PubChem CID65267384
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-8(6-7-9(15)16)14-10(17)11(2,3)12(4,5)13/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyBRPCNVYDAJHIMV-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
CID 65266918
(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 80750707
5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid
CID 82847755
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide
CID 65266746
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid
CID 65267314
3-amino-N-but-3-yn-2-yl-2,2,3-trimethylbutanamide
CID 114417192
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
CID 107145612
4-[[2-(trifluoromethylsulfanyl)acetyl]amino]pentanoic acid
CID 115923960

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid?
The IUPAC name of 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid (CID 65267384) is 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid?
The canonical SMILES for 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid?
The InChIKey is BRPCNVYDAJHIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(6-7-9(15)16)14-10(17)11(2,3)12(4,5)13/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid?
4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid is sourced from PubChem (CID 65267384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).