5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid

C11H22N2O3 — CID 82688450

IUPAC5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C(C)(C)CN
InChIInChI=1S/C11H22N2O3/c1-8(4-5-9(14)15)6-13-10(16)11(2,3)7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySXDHFBYOAJFDLK-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds7

About 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid

5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid (PubChem CID 82688450) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
PubChem CID82688450
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C(C)(C)CN
InChIInChI=1S/C11H22N2O3/c1-8(4-5-9(14)15)6-13-10(16)11(2,3)7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySXDHFBYOAJFDLK-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-amino-2,2-dimethylpropanoyl)amino]-4-ethylhexanoic acid
CID 113307665
5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
CID 82010370
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 114143086
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
CID 79812135
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
CID 107222678
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82013804
3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 66092248
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid (CID 82688450) is 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)C(C)(C)CN.
What is the InChIKey of 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is SXDHFBYOAJFDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(4-5-9(14)15)6-13-10(16)11(2,3)7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid?
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82688450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).