N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide

C11H21N3O3 — CID 167218691

IUPACN-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide
SMILESCC[C@H](C)C(NC(=O)C1CNCCO1)C(N)=O
InChIInChI=1S/C11H21N3O3/c1-3-7(2)9(10(12)15)14-11(16)8-6-13-4-5-17-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t7-,8?,9?/m0/s1
InChIKeyCOQQFABBQFCOCX-UEJVZZJDSA-N
MW243.31 g/mol
LogP-1.01
Rot. Bonds5

About N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide

N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide (PubChem CID 167218691) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide
PubChem CID167218691
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide
SMILESCC[C@H](C)C(NC(=O)C1CNCCO1)C(N)=O
InChIInChI=1S/C11H21N3O3/c1-3-7(2)9(10(12)15)14-11(16)8-6-13-4-5-17-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t7-,8?,9?/m0/s1
InChIKeyCOQQFABBQFCOCX-UEJVZZJDSA-N
XLogP-1.01
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 46798170
(2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide
CID 94824925
N-(3-amino-2,2-difluoropropyl)-3-ethyl-2-morpholin-4-ylpentanamide
CID 120409140
N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032231
3-Methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide
CID 18325253
2-Amino-3-methyl-1-morpholin-4-ylpentan-1-one
CID 22492013
4-(L-isoleucinyl)morpholine
CID 22894947
(2S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one
CID 24279171
(2S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 24279172
(2R,3R)-2-amino-3-methyl-N-(2-morpholinoethyl)-pentanamide
CID 28174760

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide (CID 167218691) is N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide is CC[C@H](C)C(NC(=O)C1CNCCO1)C(N)=O.
What is the InChIKey of N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide?
The InChIKey is COQQFABBQFCOCX-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-7(2)9(10(12)15)14-11(16)8-6-13-4-5-17-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t7-,8?,9?/m0/s1.
What are the key properties of N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide?
N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 167218691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).