(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride

C9H20ClN3O2 — CID 57484828

IUPAC(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NN1CCOCC1.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-7(2)8(10)9(13)11-12-3-5-14-6-4-12;/h7-8H,3-6,10H2,1-2H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyRVGMUXODYYZGQA-QRPNPIFTSA-N
MW237.73 g/mol
LogP-0.25
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride

(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride (PubChem CID 57484828) has the molecular formula C9H20ClN3O2 and a molecular weight of 237.73 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride
PubChem CID57484828
Molecular FormulaC9H20ClN3O2
Molecular Weight237.73 g/mol
Exact Mass237.12
IUPAC Name(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NN1CCOCC1.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-7(2)8(10)9(13)11-12-3-5-14-6-4-12;/h7-8H,3-6,10H2,1-2H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyRVGMUXODYYZGQA-QRPNPIFTSA-N
XLogP-0.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-morpholin-4-ylpentanamide
CID 83016834
2-amino-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)butanamide;hydrochloride
CID 119277757
(2R)-2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79011788
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid
CID 83016952
(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
CID 119863888
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
N-morpholin-4-yl-2-(propan-2-ylamino)acetamide
CID 83016590
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-hydrazinyl-N-morpholin-4-yl-2-oxoacetamide
CID 91325671
1,1-dimethyl-3-morpholin-4-ylurea
CID 116657343
(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
CID 83017050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride (CID 57484828) is (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride is CC(C)[C@H](N)C(=O)NN1CCOCC1.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride?
The InChIKey is RVGMUXODYYZGQA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H19N3O2.ClH/c1-7(2)8(10)9(13)11-12-3-5-14-6-4-12;/h7-8H,3-6,10H2,1-2H3,(H,11,13);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride?
(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 57484828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).