3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid

C15H28N2O4 — CID 65493920

IUPAC3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)CNC(=O)C(C)(C)C)CC(=O)O
InChIInChI=1S/C15H28N2O4/c1-10(2)6-11(7-13(19)20)8-16-12(18)9-17-14(21)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyHNYCHJHUSHQDKF-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.40
Rot. Bonds8

About 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid

3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid (PubChem CID 65493920) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
PubChem CID65493920
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)CNC(=O)C(C)(C)C)CC(=O)O
InChIInChI=1S/C15H28N2O4/c1-10(2)6-11(7-13(19)20)8-16-12(18)9-17-14(21)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyHNYCHJHUSHQDKF-UHFFFAOYSA-N
XLogP1.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid with MolForge

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Related Compounds

CID 145148845
CID 145148845
(3S)-5-methyl-3-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]hexanoic acid
CID 103940347
2,2-dimethyl-N-[2-[(3-methyl-2-propan-2-ylbutyl)amino]-2-oxoethyl]propanamide
CID 102914880
(3S)-3-[(3-aminopropanoylamino)methyl]-5-methylhexanoic acid
CID 65493919
(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493498
(3S)-5-methyl-3-[[3-(methylamino)propanoylamino]methyl]hexanoic acid
CID 65494541
(3S)-5-methyl-3-[[(2-propan-2-yloxyacetyl)amino]methyl]hexanoic acid
CID 103940346
5-methyl-3-[(2-methylpropanoylamino)methyl]hexanoic acid
CID 65492879
5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid
CID 65493929
N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 97078266
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507
5-methyl-3-[[4-(methylamino)butanoylamino]methyl]hexanoic acid
CID 65494760

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid (CID 65493920) is 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)CNC(=O)C(C)(C)C)CC(=O)O.
What is the InChIKey of 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid?
The InChIKey is HNYCHJHUSHQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(2)6-11(7-13(19)20)8-16-12(18)9-17-14(21)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid?
3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65493920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).