(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid

C12H22N2O4 — CID 66429146

IUPAC(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
SMILESCC(C)(C)[C@H](NC(=O)CC1CNCCO1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(2,3)10(11(16)17)14-9(15)6-8-7-13-4-5-18-8/h8,10,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)/t8?,10-/m1/s1
InChIKeyAXMUUGPXYBMIPK-LHIURRSHSA-N
MW258.32 g/mol
LogP-0.02
Rot. Bonds4

About (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid

(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid (PubChem CID 66429146) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
PubChem CID66429146
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
SMILESCC(C)(C)[C@H](NC(=O)CC1CNCCO1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(2,3)10(11(16)17)14-9(15)6-8-7-13-4-5-18-8/h8,10,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)/t8?,10-/m1/s1
InChIKeyAXMUUGPXYBMIPK-LHIURRSHSA-N
XLogP-0.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid 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

(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623
2-cyclopropyl-2-[(2-morpholin-2-ylacetyl)amino]acetic acid
CID 66427040
4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
CID 66427872
N-methyl-2-[(2-morpholin-2-ylacetyl)amino]propanamide
CID 66428310
2,2,3-trimethyl-3-[(2-morpholin-2-ylacetyl)amino]butanoic acid
CID 66429397
N-[(2S)-1-hydroxybutan-2-yl]-2-morpholin-2-ylacetamide
CID 107222428
N-(3-ethylpentan-3-yl)-2-morpholin-2-ylacetamide
CID 66428123
N-(2-cyclopropylpropan-2-yl)-2-morpholin-2-ylacetamide
CID 103809623
N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide
CID 115740086
2-morpholin-2-ylacetohydrazide
CID 66428542
N-benzhydryl-2-morpholin-2-ylacetamide;hydrochloride
CID 119675556
2-morpholin-2-yl-N-(1-phenylpropyl)acetamide
CID 66427474

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid (CID 66429146) is (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid is CC(C)(C)[C@H](NC(=O)CC1CNCCO1)C(=O)O.
What is the InChIKey of (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
The InChIKey is AXMUUGPXYBMIPK-LHIURRSHSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)10(11(16)17)14-9(15)6-8-7-13-4-5-18-8/h8,10,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)/t8?,10-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid?
(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 66429146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).