4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide

C12H23N3O3 — CID 113410096

IUPAC4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
SMILESCC(C)CNC(=O)CCNC(=O)C1COCC1N
InChIInChI=1S/C12H23N3O3/c1-8(2)5-15-11(16)3-4-14-12(17)9-6-18-7-10(9)13/h8-10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYIXWOFBGQYGRDC-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.76
Rot. Bonds6

About 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide

4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide (PubChem CID 113410096) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
PubChem CID113410096
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
SMILESCC(C)CNC(=O)CCNC(=O)C1COCC1N
InChIInChI=1S/C12H23N3O3/c1-8(2)5-15-11(16)3-4-14-12(17)9-6-18-7-10(9)13/h8-10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYIXWOFBGQYGRDC-UHFFFAOYSA-N
XLogP-0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
CID 66241397
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
CID 66237074
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
CID 114134099
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
(1S,6R)-6-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962692
7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
CID 66235647
4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012
4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66237706
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
CID 66235852
2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 66237264
4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 66235652

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide (CID 113410096) is 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide is CC(C)CNC(=O)CCNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide?
The InChIKey is YIXWOFBGQYGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)5-15-11(16)3-4-14-12(17)9-6-18-7-10(9)13/h8-10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide?
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide is sourced from PubChem (CID 113410096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).