N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C13H22N2O4 — CID 103849464

IUPACN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H22N2O4/c1-9-6-10(9)12(17)14-4-2-11(16)15-7-13(18)3-5-19-8-13/h9-10,18H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeySBVXCEWUZWTHQR-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.58
Rot. Bonds6

About N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 103849464) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID103849464
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H22N2O4/c1-9-6-10(9)12(17)14-4-2-11(16)15-7-13(18)3-5-19-8-13/h9-10,18H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeySBVXCEWUZWTHQR-UHFFFAOYSA-N
XLogP-0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-hydroxy-3-methoxypropyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 64285502
N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 66169370
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 75389359
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 75389364
N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 79039010
N-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 79410384
2-ethyl-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243046
2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243047
N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
CID 97243062
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
CID 97243063
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpentanamide
CID 103525861
N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 103712150

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 103849464) is N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is SBVXCEWUZWTHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-6-10(9)12(17)14-4-2-11(16)15-7-13(18)3-5-19-8-13/h9-10,18H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 103849464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).