(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid

C9H18N2O4 — CID 80750743

IUPAC(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
SMILESCCC(CC)NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-6(4-2)10-9(15)11-7(5-12)8(13)14/h6-7,12H,3-5H2,1-2H3,(H,13,14)(H2,10,11,15)/t7-/m1/s1
InChIKeyQQOFLGXGDFNODM-SSDOTTSWSA-N
MW218.25 g/mol
LogP-0.08
Rot. Bonds6

About (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid

(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid (PubChem CID 80750743) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
PubChem CID80750743
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
SMILESCCC(CC)NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-6(4-2)10-9(15)11-7(5-12)8(13)14/h6-7,12H,3-5H2,1-2H3,(H,13,14)(H2,10,11,15)/t7-/m1/s1
InChIKeyQQOFLGXGDFNODM-SSDOTTSWSA-N
XLogP-0.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid
CID 62117859
(2S)-4-methoxy-4-oxo-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 63307314
(2S)-4-methylsulfanyl-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 61187767
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 106346749
(2R)-4-hydroxy-2-(1-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid
CID 107829130
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
3-hydroxy-2-(5-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 63927768
(2S)-2-(pentan-3-ylcarbamoylamino)-4-phenylbutanoic acid
CID 104983577
2-(hexan-3-ylcarbamoylamino)pentanedioic acid
CID 62119711
(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 80757457

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid (CID 80750743) is (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid is CCC(CC)NC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid?
The InChIKey is QQOFLGXGDFNODM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-6(4-2)10-9(15)11-7(5-12)8(13)14/h6-7,12H,3-5H2,1-2H3,(H,13,14)(H2,10,11,15)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid?
(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 80750743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).