N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide

C10H20N4O3 — CID 79152780

IUPACN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide
SMILESCCC(C)(NC(=O)N1CCOCC1)C(N)=NO
InChIInChI=1S/C10H20N4O3/c1-3-10(2,8(11)13-16)12-9(15)14-4-6-17-7-5-14/h16H,3-7H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyYSHDPPATPGJSQW-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.06
Rot. Bonds3

About N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide

N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide (PubChem CID 79152780) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide
PubChem CID79152780
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide
SMILESCCC(C)(NC(=O)N1CCOCC1)C(N)=NO
InChIInChI=1S/C10H20N4O3/c1-3-10(2,8(11)13-16)12-9(15)14-4-6-17-7-5-14/h16H,3-7H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyYSHDPPATPGJSQW-UHFFFAOYSA-N
XLogP-0.06
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
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

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]azepane-1-carboxamide
CID 79152660
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-4-carboxamide
CID 103749296
3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea
CID 79154540
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide
CID 79762996
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
4-methyl-4-(morpholine-4-carbonylamino)pentanoic acid
CID 62050012
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxy-2-methylbutanamide
CID 114106266
3,3,3-trifluoro-2-methyl-2-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 79801375
2-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 61218287
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116653730
N-propylmorpholine-4-carboxamide
CID 3410822

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide (CID 79152780) is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide is CCC(C)(NC(=O)N1CCOCC1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide?
The InChIKey is YSHDPPATPGJSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-3-10(2,8(11)13-16)12-9(15)14-4-6-17-7-5-14/h16H,3-7H2,1-2H3,(H2,11,13)(H,12,15).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 79152780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).