(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid

C9H18N2O4 — CID 104685369

IUPAC(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
SMILESCC(CCCN)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(3-2-4-10)8(13)11-7(5-12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeyNHUQQVOPXFUSEH-COBSHVIPSA-N
MW218.25 g/mol
LogP-1.08
Rot. Bonds7

About (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid (PubChem CID 104685369) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
PubChem CID104685369
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
SMILESCC(CCCN)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(3-2-4-10)8(13)11-7(5-12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeyNHUQQVOPXFUSEH-COBSHVIPSA-N
XLogP-1.08
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.08
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]-4-hydroxybutanoic acid
CID 107825086
(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
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 145456472
2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 18221080
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 145457816
(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-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 18492467
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 175903588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid (CID 104685369) is (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid is CC(CCCN)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is NHUQQVOPXFUSEH-COBSHVIPSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(3-2-4-10)8(13)11-7(5-12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 218.25 g/mol, XLogP of -1.08, 7 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]-3-hydroxypropanoic acid is sourced from PubChem (CID 104685369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).