2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid

C10H20N2O4 — CID 104903232

IUPAC2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
SMILESCC(C)C[C@@H](N)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(2)5-7(11)9(14)12-8(3-4-13)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t7-,8?/m1/s1
InChIKeyHEQQRYIYAMQCMZ-GVHYBUMESA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds7

About 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid

2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid (PubChem CID 104903232) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
PubChem CID104903232
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
SMILESCC(C)C[C@@H](N)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(2)5-7(11)9(14)12-8(3-4-13)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t7-,8?/m1/s1
InChIKeyHEQQRYIYAMQCMZ-GVHYBUMESA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoic acid;hydrochloride
CID 122235943
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;(2R)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 139248299
(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
CID 107825073
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 145456412
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 134825409
5-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
CID 18300638
2-[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-hydroxypropanoic acid
CID 22702472
2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid
CID 18221982
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
CID 18298651
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid (CID 104903232) is 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid is CC(C)C[C@@H](N)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is HEQQRYIYAMQCMZ-GVHYBUMESA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(2)5-7(11)9(14)12-8(3-4-13)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t7-,8?/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid?
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 104903232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).