(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid

C12H22N2O4 — CID 90040549

IUPAC(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(2)7-10(12(16)17)13-11(15)8-14-3-5-18-6-4-14/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyYTSRFPQXRFWZAX-JTQLQIEISA-N
MW258.32 g/mol
LogP-0.07
Rot. Bonds6

About (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid

(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid (PubChem CID 90040549) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
PubChem CID90040549
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(2)7-10(12(16)17)13-11(15)8-14-3-5-18-6-4-14/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyYTSRFPQXRFWZAX-JTQLQIEISA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoic acid
CID 118673135
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 78975617
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
benzyl (2S)-4-methyl-2-[[2-[16-[2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]pentanoate
CID 99662039
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
N-(4-hydroxybutan-2-yl)-2-morpholin-4-ylacetamide
CID 110011691
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774
potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate
CID 131737033
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate
CID 163774011

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid (CID 90040549) is (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)CN1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid?
The InChIKey is YTSRFPQXRFWZAX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)7-10(12(16)17)13-11(15)8-14-3-5-18-6-4-14/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 90040549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).