4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide

C12H23N3O3 — CID 83098645

IUPAC4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H23N3O3/c1-8(2)6-9(13)12(17)15-4-5-18-7-10(15)11(16)14-3/h8-10H,4-7,13H2,1-3H3,(H,14,16)/t9-,10?/m0/s1
InChIKeyPZNZZDSSCTVPAD-RGURZIINSA-N
MW257.33 g/mol
LogP-0.67
Rot. Bonds4

About 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide

4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83098645) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
PubChem CID83098645
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H23N3O3/c1-8(2)6-9(13)12(17)15-4-5-18-7-10(15)11(16)14-3/h8-10H,4-7,13H2,1-3H3,(H,14,16)/t9-,10?/m0/s1
InChIKeyPZNZZDSSCTVPAD-RGURZIINSA-N
XLogP-0.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-amino-4-methylpentanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 104903912
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 104877390
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
N-methyl-4-(2-piperazin-1-ylpropanoyl)morpholine-3-carboxamide
CID 83103255
4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097281
3,3-dimethyl-2-[3-(methylcarbamoyl)morpholine-4-carbonyl]butanoic acid
CID 116537418
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide
CID 106593033
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
(2R)-2-amino-4-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 104903033

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide (CID 83098645) is 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is PZNZZDSSCTVPAD-RGURZIINSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)6-9(13)12(17)15-4-5-18-7-10(15)11(16)14-3/h8-10H,4-7,13H2,1-3H3,(H,14,16)/t9-,10?/m0/s1.
What are the key properties of 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide?
4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83098645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).