N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide

C13H27N3O2 — CID 68721250

IUPACN-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
SMILESCCC(C)[C@H](N)CNC(=O)CCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-3-11(2)12(14)10-15-13(17)4-5-16-6-8-18-9-7-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t11?,12-/m1/s1
InChIKeySOAVCSZGWOHJJJ-PIJUOVFKSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds7

About N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide

N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide (PubChem CID 68721250) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
PubChem CID68721250
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
SMILESCCC(C)[C@H](N)CNC(=O)CCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-3-11(2)12(14)10-15-13(17)4-5-16-6-8-18-9-7-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t11?,12-/m1/s1
InChIKeySOAVCSZGWOHJJJ-PIJUOVFKSA-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

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Related Compounds

ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012603
5-amino-6-methyl-1-morpholin-4-yloctan-4-one
CID 76787155
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 115650073
N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide
CID 89296356
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid
CID 70812112

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide (CID 68721250) is N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide is CCC(C)[C@H](N)CNC(=O)CCN1CCOCC1.
What is the InChIKey of N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide?
The InChIKey is SOAVCSZGWOHJJJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-11(2)12(14)10-15-13(17)4-5-16-6-8-18-9-7-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t11?,12-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide?
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide 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 N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 68721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).