(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid

C9H18N2O4 — CID 80751277

IUPAC(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
SMILESCC(C)(N)CCC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,10)4-3-7(13)11-6(5-12)8(14)15/h6,12H,3-5,10H2,1-2H3,(H,11,13)(H,14,15)/t6-/m1/s1
InChIKeyDMRQTVCYILCHKD-ZCFIWIBFSA-N
MW218.25 g/mol
LogP-0.93
Rot. Bonds6

About (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid (PubChem CID 80751277) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
PubChem CID80751277
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
SMILESCC(C)(N)CCC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,10)4-3-7(13)11-6(5-12)8(14)15/h6,12H,3-5,10H2,1-2H3,(H,11,13)(H,14,15)/t6-/m1/s1
InChIKeyDMRQTVCYILCHKD-ZCFIWIBFSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-amino-4-methylpentanoyl)amino]-4-methyl-4-phosphanylsulfanylpentanoic acid
CID 167251315
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide
CID 107219055
6-[(4-amino-4-methylpentanoyl)amino]-2-methylheptanoic acid
CID 65286229
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
2-[(4-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 77015010
(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 80750707
3-hydroxy-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid
CID 101050675
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
CID 80751495
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022
3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 174909049
2-(7-aminoheptanoylamino)-3-hydroxypropanoic acid
CID 61157743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid (CID 80751277) is (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid is CC(C)(N)CCC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is DMRQTVCYILCHKD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,10)4-3-7(13)11-6(5-12)8(14)15/h6,12H,3-5,10H2,1-2H3,(H,11,13)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).