methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate

C9H18N2O3 — CID 115590026

IUPACmethyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
SMILESCCC(C)NC(=O)CCNC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-4-7(2)11-8(12)5-6-10-9(13)14-3/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyKQIZZQXSQDMEJE-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.65
Rot. Bonds5

About methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate

methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate (PubChem CID 115590026) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
PubChem CID115590026
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
SMILESCCC(C)NC(=O)CCNC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-4-7(2)11-8(12)5-6-10-9(13)14-3/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyKQIZZQXSQDMEJE-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
CID 24688510
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
N-butan-2-yl-3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 110942520
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
4-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-3-methoxybutanoic acid
CID 103159154
methyl 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoate
CID 54900962
(E)-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobut-2-enoic acid
CID 54900855

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate?
The IUPAC name of methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate (CID 115590026) is methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate?
The canonical SMILES for methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate is CCC(C)NC(=O)CCNC(=O)OC.
What is the InChIKey of methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate?
The InChIKey is KQIZZQXSQDMEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-7(2)11-8(12)5-6-10-9(13)14-3/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate?
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 115590026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).