4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide

C12H23N3O3 — CID 112704033

IUPAC4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H23N3O3/c1-9(2)15-10(16)3-6-14-11(17)12(13)4-7-18-8-5-12/h9H,3-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOCVKCWXHMLVSPI-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.47
Rot. Bonds5

About 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide

4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide (PubChem CID 112704033) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
PubChem CID112704033
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H23N3O3/c1-9(2)15-10(16)3-6-14-11(17)12(13)4-7-18-8-5-12/h9H,3-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOCVKCWXHMLVSPI-UHFFFAOYSA-N
XLogP-0.47
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703846
4-amino-N-butyloxane-4-carboxamide
CID 115293500
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 115295165
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide (CID 112704033) is 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide is CC(C)NC(=O)CCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide?
The InChIKey is OCVKCWXHMLVSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)15-10(16)3-6-14-11(17)12(13)4-7-18-8-5-12/h9H,3-8,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide?
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide is sourced from PubChem (CID 112704033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).