4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide

C14H27N3O3 — CID 83097667

IUPAC4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C14H27N3O3/c1-5-10(4)12(15)14(19)17-6-7-20-8-11(17)13(18)16-9(2)3/h9-12H,5-8,15H2,1-4H3,(H,16,18)/t10-,11?,12-/m0/s1
InChIKeyJFMXXRVANMKTQG-PRWSFJOGSA-N
MW285.39 g/mol
LogP0.11
Rot. Bonds5

About 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83097667) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83097667
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C14H27N3O3/c1-5-10(4)12(15)14(19)17-6-7-20-8-11(17)13(18)16-9(2)3/h9-12H,5-8,15H2,1-4H3,(H,16,18)/t10-,11?,12-/m0/s1
InChIKeyJFMXXRVANMKTQG-PRWSFJOGSA-N
XLogP0.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-methylpentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098233
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-[3-(ethylamino)-2-methylpropanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098665
4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097281
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83097667) is 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide is CC[C@H](C)[C@H](N)C(=O)N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is JFMXXRVANMKTQG-PRWSFJOGSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-10(4)12(15)14(19)17-6-7-20-8-11(17)13(18)16-9(2)3/h9-12H,5-8,15H2,1-4H3,(H,16,18)/t10-,11?,12-/m0/s1.
What are the key properties of 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83097667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).