4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid

C16H32N2O3 — CID 65266918

IUPAC4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
SMILESCC(C)C(CCNC(=O)C(C)(C)C(C)(C)N)CCC(=O)O
InChIInChI=1S/C16H32N2O3/c1-11(2)12(7-8-13(19)20)9-10-18-14(21)15(3,4)16(5,6)17/h11-12H,7-10,17H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyJSVCDPWFWVYXNQ-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.39
Rot. Bonds9

About 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid

4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid (PubChem CID 65266918) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
PubChem CID65266918
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
SMILESCC(C)C(CCNC(=O)C(C)(C)C(C)(C)N)CCC(=O)O
InChIInChI=1S/C16H32N2O3/c1-11(2)12(7-8-13(19)20)9-10-18-14(21)15(3,4)16(5,6)17/h11-12H,7-10,17H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyJSVCDPWFWVYXNQ-UHFFFAOYSA-N
XLogP2.39
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid with MolForge

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Related Compounds

4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid
CID 65267384
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]-5-methylhexanoic acid
CID 64894994
6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65286271
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
CID 79812135
4-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]-5-methylhexanoic acid
CID 104908546
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid
CID 79811017
4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid
CID 103103551
4-propan-2-yltridecanedioic acid
CID 89462397
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid
CID 64604896
5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid
CID 79272358

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid?
The IUPAC name of 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid (CID 65266918) is 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid.
What is the SMILES notation for 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid?
The canonical SMILES for 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid is CC(C)C(CCNC(=O)C(C)(C)C(C)(C)N)CCC(=O)O.
What is the InChIKey of 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid?
The InChIKey is JSVCDPWFWVYXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-11(2)12(7-8-13(19)20)9-10-18-14(21)15(3,4)16(5,6)17/h11-12H,7-10,17H2,1-6H3,(H,18,21)(H,19,20).
What are the key properties of 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid?
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid has a molecular weight of 300.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid is sourced from PubChem (CID 65266918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).