(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid

C11H20N2O4 — CID 80757359

IUPAC(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC1(NC(=O)N[C@H](CO)C(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O4/c1-11(5-3-2-4-6-11)13-10(17)12-8(7-14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyHRQOGXIMSUCKLK-MRVPVSSYSA-N
MW244.29 g/mol
LogP0.45
Rot. Bonds4

About (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid (PubChem CID 80757359) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
PubChem CID80757359
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC1(NC(=O)N[C@H](CO)C(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O4/c1-11(5-3-2-4-6-11)13-10(17)12-8(7-14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyHRQOGXIMSUCKLK-MRVPVSSYSA-N
XLogP0.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-methylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910190
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
CID 107839454
5-methoxy-2-[(1-methylcyclohexyl)carbamoylamino]pentanoic acid
CID 81085133
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 107828105
(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid
CID 103927907
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
CID 104865758
3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
CID 64689246
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649
2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid
CID 114114265
(2S)-4-hydroxy-2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoylamino]butanoic acid
CID 114005558
(2R)-3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 80751284

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid (CID 80757359) is (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid is CC1(NC(=O)N[C@H](CO)C(=O)O)CCCCC1.
What is the InChIKey of (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid?
The InChIKey is HRQOGXIMSUCKLK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(5-3-2-4-6-11)13-10(17)12-8(7-14)9(15)16/h8,14H,2-7H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 80757359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).