(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid

C14H24N2O4 — CID 11781067

IUPAC(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
SMILESO=C(O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C14H24N2O4/c17-13(18)12(10-11-4-2-1-3-5-11)15-14(19)16-6-8-20-9-7-16/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyCOWMZXVAPIXZHK-LBPRGKRZSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds4

About (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid

(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid (PubChem CID 11781067) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
PubChem CID11781067
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
SMILESO=C(O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C14H24N2O4/c17-13(18)12(10-11-4-2-1-3-5-11)15-14(19)16-6-8-20-9-7-16/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyCOWMZXVAPIXZHK-LBPRGKRZSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 59414130
4-cyano-4-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 22063230
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
(2R)-4-amino-2-(1,4-oxazepane-4-carbonylamino)-4-oxobutanoic acid
CID 107827630
2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 107566897
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(4-hydroxyanilino)-4-sulfanylbutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 89041309
N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260549
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid (CID 11781067) is (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid is O=C(O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1.
What is the InChIKey of (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid?
The InChIKey is COWMZXVAPIXZHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13(18)12(10-11-4-2-1-3-5-11)15-14(19)16-6-8-20-9-7-16/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid?
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 11781067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).