(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid

C10H20N2O4 — CID 107825086

IUPAC(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
SMILESCC(CCCN)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(3-2-5-11)9(14)12-8(4-6-13)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7?,8-/m1/s1
InChIKeyMANQTCWLORZWMI-BRFYHDHCSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds8

About (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid (PubChem CID 107825086) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
PubChem CID107825086
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
SMILESCC(CCCN)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(3-2-5-11)9(14)12-8(4-6-13)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7?,8-/m1/s1
InChIKeyMANQTCWLORZWMI-BRFYHDHCSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
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

2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 104684708
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2S)-6-amino-2-[[(2S)-4-[[(3S)-4-[[(1S)-5-amino-1-carboxypentyl]amino]-3-methyl-4-oxobutyl]disulfanyl]-2-methylbutanoyl]amino]hexanoic acid
CID 59111182
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243847
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
(2S)-5-amino-2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]pentanoic acid
CID 175712617
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid (CID 107825086) is (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid is CC(CCCN)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is MANQTCWLORZWMI-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(3-2-5-11)9(14)12-8(4-6-13)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).