(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid

C11H22N2O3 — CID 82010947

IUPAC(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
SMILESCC(CN)CCC(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)10(11(15)16)13-9(14)5-4-8(3)6-12/h7-8,10H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8?,10-/m0/s1
InChIKeyUJOBRNMIURSADK-HTLJXXAVSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds7

About (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid

(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid (PubChem CID 82010947) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
PubChem CID82010947
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
SMILESCC(CN)CCC(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)10(11(15)16)13-9(14)5-4-8(3)6-12/h7-8,10H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8?,10-/m0/s1
InChIKeyUJOBRNMIURSADK-HTLJXXAVSA-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-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
CID 82012633
2-[(5-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 82011210
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82687956
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid
CID 87567267
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011707
(2R)-2-(4,4-dimethylpentanoylamino)-3-methylbutanoic acid
CID 119368120
2-[(2-carboxyacetyl)amino]-3-methylbutanoic acid
CID 62232475
(2S)-2-(3,3-diaminopropanoylamino)-3-methylbutanoic acid
CID 18639227

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid (CID 82010947) is (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid is CC(CN)CCC(=O)N[C@H](C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid?
The InChIKey is UJOBRNMIURSADK-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)10(11(15)16)13-9(14)5-4-8(3)6-12/h7-8,10H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid?
(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic 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 (2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 82010947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).