4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide

C13H25N3O3 — CID 107570452

IUPAC4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCCC[C@H](N)C(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C13H25N3O3/c1-4-5-10(14)13(18)16-6-7-19-8-11(16)12(17)15-9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyBQEHCSXVTWOQSH-VUWPPUDQSA-N
MW271.36 g/mol
LogP-0.13
Rot. Bonds5

About 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 107570452) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID107570452
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCCC[C@H](N)C(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C13H25N3O3/c1-4-5-10(14)13(18)16-6-7-19-8-11(16)12(17)15-9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyBQEHCSXVTWOQSH-VUWPPUDQSA-N
XLogP-0.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
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
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841
4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097232
4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
CID 83098645
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 107570452) is 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide is CCC[C@H](N)C(=O)N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is BQEHCSXVTWOQSH-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-5-10(14)13(18)16-6-7-19-8-11(16)12(17)15-9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11?/m0/s1.
What are the key properties of 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 107570452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).