(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide

C13H27N3O2 — CID 78968953

IUPAC(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
SMILESCC(C)CC(CNC(=O)[C@H](C)N)N1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)8-12(9-15-13(17)11(3)14)16-4-6-18-7-5-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyCKPLQTUUJJBNKP-PXYINDEMSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds6

About (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide

(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide (PubChem CID 78968953) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
PubChem CID78968953
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
SMILESCC(C)CC(CNC(=O)[C@H](C)N)N1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)8-12(9-15-13(17)11(3)14)16-4-6-18-7-5-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyCKPLQTUUJJBNKP-PXYINDEMSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

(2R)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)pentanamide
CID 103813493
2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 62477972
2-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 65229319
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
5-amino-N-(4-methyl-2-morpholin-4-ylpentyl)hexanamide
CID 82849469
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437
1-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 115453115
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
CID 119849934
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
2-(cyclopropylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 61249539
2-methyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide
CID 111928490
(2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide
CID 134053198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide (CID 78968953) is (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide is CC(C)CC(CNC(=O)[C@H](C)N)N1CCOCC1.
What is the InChIKey of (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The InChIKey is CKPLQTUUJJBNKP-PXYINDEMSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)8-12(9-15-13(17)11(3)14)16-4-6-18-7-5-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t11-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide is sourced from PubChem (CID 78968953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).