N-[(2S)-1-methoxypropan-2-yl]formamide

C5H11NO2 — CID 87302736

IUPACN-[(2S)-1-methoxypropan-2-yl]formamide
SMILESCOC[C@H](C)NC=O
InChIInChI=1S/C5H11NO2/c1-5(3-8-2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
InChIKeyWRGXFWJJGZEHPR-YFKPBYRVSA-N
MW117.15 g/mol
LogP-0.23
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]formamide

N-[(2S)-1-methoxypropan-2-yl]formamide (PubChem CID 87302736) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]formamide
PubChem CID87302736
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]formamide
SMILESCOC[C@H](C)NC=O
InChIInChI=1S/C5H11NO2/c1-5(3-8-2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
InChIKeyWRGXFWJJGZEHPR-YFKPBYRVSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-formamidopropyl nitrite
CID 143381347
N-(4-formamidopentan-2-yl)formamide
CID 174912100
N-[(2S)-butan-2-yl]formamide
CID 55285287
N-(1-sulfanylpropan-2-yl)formamide
CID 165129664
N-(1-bromopropan-2-yl)formamide
CID 57167291
N-(1-methoxypentan-2-yl)formamide
CID 64991687
N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide
CID 142007053
propan-2-yl 3-formamidobutanoate
CID 54044866
2-formamido-5-methoxy-4-methylpentanoic acid
CID 116502113
N-(5-formamidohexyl)formamide
CID 154679922
N-[3-(methoxymethoxy)butan-2-yl]formamide
CID 126762871
N-(4-methoxy-2-methylbutyl)formamide
CID 91122116

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]formamide (CID 87302736) is N-[(2S)-1-methoxypropan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]formamide is COC[C@H](C)NC=O.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]formamide?
The InChIKey is WRGXFWJJGZEHPR-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(3-8-2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]formamide?
N-[(2S)-1-methoxypropan-2-yl]formamide has a molecular weight of 117.15 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]formamide is sourced from PubChem (CID 87302736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).