5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid

C11H22N2O3 — CID 82688347

IUPAC5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)10(12)11(16)13-6-8(3)4-5-9(14)15/h7-8,10H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8?,10-/m1/s1
InChIKeyVONPKTGKFBHGJI-LHIURRSHSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds7

About 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid

5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid (PubChem CID 82688347) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
PubChem CID82688347
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)10(12)11(16)13-6-8(3)4-5-9(14)15/h7-8,10H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8?,10-/m1/s1
InChIKeyVONPKTGKFBHGJI-LHIURRSHSA-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

2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 82014367
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid (CID 82688347) is 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)[C@H](N)C(C)C.
What is the InChIKey of 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid?
The InChIKey is VONPKTGKFBHGJI-LHIURRSHSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)10(12)11(16)13-6-8(3)4-5-9(14)15/h7-8,10H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8?,10-/m1/s1.
What are the key properties of 5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid?
5-[[(2R)-2-amino-3-methylbutanoyl]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-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82688347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).