(butan-2-ylamino) formate

C5H11NO2 — CID 18006096

IUPAC(butan-2-ylamino) formate
SMILESCCC(C)NOC=O
InChIInChI=1S/C5H11NO2/c1-3-5(2)6-8-4-7/h4-6H,3H2,1-2H3
InChIKeyWWJINPAFRDVFDJ-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.46
Rot. Bonds4

About (butan-2-ylamino) formate

(butan-2-ylamino) formate (PubChem CID 18006096) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (butan-2-ylamino) formate.

Molecular Properties

Compound Name(butan-2-ylamino) formate
PubChem CID18006096
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(butan-2-ylamino) formate
SMILESCCC(C)NOC=O
InChIInChI=1S/C5H11NO2/c1-3-5(2)6-8-4-7/h4-6H,3H2,1-2H3
InChIKeyWWJINPAFRDVFDJ-UHFFFAOYSA-N
XLogP0.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(pentan-2-ylamino) formate
CID 18006117
2-(formyloxyamino)-3-methylpentanoic acid
CID 174920708
N-[(2S)-butan-2-yl]formamide
CID 55285287
N-(2-methylpropoxy)butan-2-amine
CID 82709503
N-butan-2-yloxybutan-2-amine;hydrochloride
CID 22415902
(2S)-2-(ethoxyamino)propanal
CID 173309058
N-(butan-2-ylcarbamoyl)formamide
CID 143601930
butan-2-ylhydrazine;dihydrate;hydrochloride
CID 86811571
methyl formate;N-methylpropan-2-amine
CID 144602032
1-butan-2-yloxypropan-2-yl formate
CID 139655513
N-(2-methylprop-1-enylsilyl)butan-2-amine
CID 172825506
[(2S,3S)-2-chloropentan-3-yl] formate
CID 130737322

Frequently Asked Questions

What is the IUPAC name of (butan-2-ylamino) formate?
The IUPAC name of (butan-2-ylamino) formate (CID 18006096) is (butan-2-ylamino) formate.
What is the SMILES notation for (butan-2-ylamino) formate?
The canonical SMILES for (butan-2-ylamino) formate is CCC(C)NOC=O.
What is the InChIKey of (butan-2-ylamino) formate?
The InChIKey is WWJINPAFRDVFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-5(2)6-8-4-7/h4-6H,3H2,1-2H3.
What are the key properties of (butan-2-ylamino) formate?
(butan-2-ylamino) formate has a molecular weight of 117.15 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (butan-2-ylamino) formate is sourced from PubChem (CID 18006096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).