3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide

C9H17N3O3 — CID 64891010

IUPAC3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
SMILESCNC(=O)CCNC(=O)C1(N)CCOC1
InChIInChI=1S/C9H17N3O3/c1-11-7(13)2-4-12-8(14)9(10)3-5-15-6-9/h2-6,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyWHUVXKUYZJIJAJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.64
Rot. Bonds4

About 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide

3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide (PubChem CID 64891010) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
PubChem CID64891010
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
SMILESCNC(=O)CCNC(=O)C1(N)CCOC1
InChIInChI=1S/C9H17N3O3/c1-11-7(13)2-4-12-8(14)9(10)3-5-15-6-9/h2-6,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyWHUVXKUYZJIJAJ-UHFFFAOYSA-N
XLogP-1.64
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
3-amino-N-(5-amino-5-oxopentyl)oxolane-3-carboxamide
CID 106235837
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322
3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide
CID 64891038
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988
methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
CID 107222740
1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 80587363
3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide
CID 106427849
2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 115430426
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide (CID 64891010) is 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide is CNC(=O)CCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide?
The InChIKey is WHUVXKUYZJIJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-11-7(13)2-4-12-8(14)9(10)3-5-15-6-9/h2-6,10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide?
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).