(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide

C13H27N3O2 — CID 61148304

IUPAC(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(2)10-12(14)13(17)15-4-3-5-16-6-8-18-9-7-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyCRXWXTAMEYMWOV-LBPRGKRZSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide

(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide (PubChem CID 61148304) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
PubChem CID61148304
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(2)10-12(14)13(17)15-4-3-5-16-6-8-18-9-7-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyCRXWXTAMEYMWOV-LBPRGKRZSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide 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

(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
CID 5027932
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
CID 119852486
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
CID 119849934
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide (CID 61148304) is (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide is CC(C)C[C@H](N)C(=O)NCCCN1CCOCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide?
The InChIKey is CRXWXTAMEYMWOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)10-12(14)13(17)15-4-3-5-16-6-8-18-9-7-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide is sourced from PubChem (CID 61148304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).