(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid

C12H22N2O4 — CID 78952396

IUPAC(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)NCCOC1CCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(11(15)16)14-12(17)13-7-8-18-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)/t9-/m1/s1
InChIKeyLMSLXIATIVXMKX-SECBINFHSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds6

About (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid

(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid (PubChem CID 78952396) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
PubChem CID78952396
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)NCCOC1CCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(11(15)16)14-12(17)13-7-8-18-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)/t9-/m1/s1
InChIKeyLMSLXIATIVXMKX-SECBINFHSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylbutanoic acid
CID 63834422
(2S,3S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 63834591
2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
CID 81081378
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
2-[(2-cyclohexyloxyethylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65226521
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid (CID 78952396) is (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid is C[C@@H](NC(=O)NCCOC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid?
The InChIKey is LMSLXIATIVXMKX-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(11(15)16)14-12(17)13-7-8-18-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid?
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 78952396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).