(3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate

C12H24N2O3 — CID 86729793

IUPAC(3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate
SMILESCCC(CC)C(C)(C)OC(=O)N[C@H](C)C=NO
InChIInChI=1S/C12H24N2O3/c1-6-10(7-2)12(4,5)17-11(15)14-9(3)8-13-16/h8-10,16H,6-7H2,1-5H3,(H,14,15)/t9-/m1/s1
InChIKeyABMCCTRUXZQTTJ-SECBINFHSA-N
MW244.33 g/mol
LogP2.78
Rot. Bonds6

About (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate

(3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate (PubChem CID 86729793) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate.

Molecular Properties

Compound Name(3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate
PubChem CID86729793
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate
SMILESCCC(CC)C(C)(C)OC(=O)N[C@H](C)C=NO
InChIInChI=1S/C12H24N2O3/c1-6-10(7-2)12(4,5)17-11(15)14-9(3)8-13-16/h8-10,16H,6-7H2,1-5H3,(H,14,15)/t9-/m1/s1
InChIKeyABMCCTRUXZQTTJ-SECBINFHSA-N
XLogP2.78
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate 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

tert-butyl N-[(1Z,2S)-1-hydroxyiminopropan-2-yl]carbamate
CID 45091861
tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate
CID 10944268
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 10243501
tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate
CID 15675079
2-(butan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143350838
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate?
The IUPAC name of (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate (CID 86729793) is (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate.
What is the SMILES notation for (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate?
The canonical SMILES for (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate is CCC(CC)C(C)(C)OC(=O)N[C@H](C)C=NO.
What is the InChIKey of (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate?
The InChIKey is ABMCCTRUXZQTTJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-10(7-2)12(4,5)17-11(15)14-9(3)8-13-16/h8-10,16H,6-7H2,1-5H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate?
(3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate is sourced from PubChem (CID 86729793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).