N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide

C12H21N3O3 — CID 76937461

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide
SMILESNC(CCN(C(=O)C1CCCCO1)C1CC1)=NO
InChIInChI=1S/C12H21N3O3/c13-11(14-17)6-7-15(9-4-5-9)12(16)10-3-1-2-8-18-10/h9-10,17H,1-8H2,(H2,13,14)
InChIKeyJXULKOPTHLYYDU-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.68
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide (PubChem CID 76937461) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide
PubChem CID76937461
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide
SMILESNC(CCN(C(=O)C1CCCCO1)C1CC1)=NO
InChIInChI=1S/C12H21N3O3/c13-11(14-17)6-7-15(9-4-5-9)12(16)10-3-1-2-8-18-10/h9-10,17H,1-8H2,(H2,13,14)
InChIKeyJXULKOPTHLYYDU-UHFFFAOYSA-N
XLogP0.68
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide
CID 80678303
N-(3-aminopropyl)-N-cyclohexyloxolane-2-carboxamide
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N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
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1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
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N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
(2R)-N-cyclobutyl-N-(3-hydroxypropyl)oxolane-2-carboxamide
CID 102866742
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 128964538
(2S)-3-[cyclopropyl-[(2S)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 95539140
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79162963

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide (CID 76937461) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide is NC(CCN(C(=O)C1CCCCO1)C1CC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide?
The InChIKey is JXULKOPTHLYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-11(14-17)6-7-15(9-4-5-9)12(16)10-3-1-2-8-18-10/h9-10,17H,1-8H2,(H2,13,14).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide is sourced from PubChem (CID 76937461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).