[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid

C8H16N2O4 — CID 87852629

IUPAC[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid
SMILESCN(C)C(=O)CC[C@H](CO)NC(=O)O
InChIInChI=1S/C8H16N2O4/c1-10(2)7(12)4-3-6(5-11)9-8(13)14/h6,9,11H,3-5H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyWMSHIEMYWKQPRJ-ZCFIWIBFSA-N
MW204.23 g/mol
LogP-0.52
Rot. Bonds5

About [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid

[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid (PubChem CID 87852629) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid
PubChem CID87852629
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid
SMILESCN(C)C(=O)CC[C@H](CO)NC(=O)O
InChIInChI=1S/C8H16N2O4/c1-10(2)7(12)4-3-6(5-11)9-8(13)14/h6,9,11H,3-5H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyWMSHIEMYWKQPRJ-ZCFIWIBFSA-N
XLogP-0.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic 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

[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 175379884
(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
CID 87852620
methane;N,N,4-trimethylpentanamide
CID 160907901
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079
[1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 89440647
ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
CID 71749117
[(2R)-1-(carboxyamino)-3-hydroxypropan-2-yl]carbamic acid
CID 129243469
(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 102062038
4-acetamido-5-hydroxypentanamide
CID 123414269
[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid
CID 87493222
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
CID 83195023

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid?
The IUPAC name of [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid (CID 87852629) is [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid is CN(C)C(=O)CC[C@H](CO)NC(=O)O.
What is the InChIKey of [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid?
The InChIKey is WMSHIEMYWKQPRJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-10(2)7(12)4-3-6(5-11)9-8(13)14/h6,9,11H,3-5H2,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid?
[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid has a molecular weight of 204.23 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 87852629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).