(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid

C9H18N2O3 — CID 103868754

IUPAC(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
SMILESCC(CCCN)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(4-3-5-10)8(12)11-7(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6?,7-/m1/s1
InChIKeyKPDWWCWVFKJJGK-COBSHVIPSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds6

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

(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid (PubChem CID 103868754) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
PubChem CID103868754
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
SMILESCC(CCCN)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(4-3-5-10)8(12)11-7(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6?,7-/m1/s1
InChIKeyKPDWWCWVFKJJGK-COBSHVIPSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 104684708
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 107825086
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 102073607
2-[2-[(2-acetamido-6-aminohexanoyl)amino]propanoylamino]propanoic acid
CID 4646439
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]propanoic acid
CID 54238921
(2S)-2-(2,6-diaminohexanoylamino)propanoic acid
CID 130447045
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
(2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid
CID 20637825
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid (CID 103868754) is (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid is CC(CCCN)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid?
The InChIKey is KPDWWCWVFKJJGK-COBSHVIPSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(4-3-5-10)8(12)11-7(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid?
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 103868754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).