(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate

C14H17NO4 — CID 94201532

IUPAC(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate
SMILESC[C@@H](OCC1CC1)C(=O)Oc1cccc(C(N)=O)c1
InChIInChI=1S/C14H17NO4/c1-9(18-8-10-5-6-10)14(17)19-12-4-2-3-11(7-12)13(15)16/h2-4,7,9-10H,5-6,8H2,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyLXDLUGKNSRCYMY-SECBINFHSA-N
MW263.29 g/mol
LogP1.51
Rot. Bonds6

About (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate

(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate (PubChem CID 94201532) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate.

Molecular Properties

Compound Name(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate
PubChem CID94201532
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate
SMILESC[C@@H](OCC1CC1)C(=O)Oc1cccc(C(N)=O)c1
InChIInChI=1S/C14H17NO4/c1-9(18-8-10-5-6-10)14(17)19-12-4-2-3-11(7-12)13(15)16/h2-4,7,9-10H,5-6,8H2,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyLXDLUGKNSRCYMY-SECBINFHSA-N
XLogP1.51
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
CID 86847227
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate
CID 86847032
(3-carbamoylphenyl) 3-phenylbutanoate
CID 87014037
3-[(1-methylazetidin-2-yl)methoxy]benzamide
CID 175878992
3-cyclopentyloxybenzamide
CID 71932153
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383219
oxolan-2-ylmethyl 3-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17178851
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
3-(3-amino-2-methyl-3-sulfanylidenepropoxy)benzamide
CID 82147616
(3-carbamimidoylphenyl) (2S)-2-aminopropanoate
CID 68930399

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate?
The IUPAC name of (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate (CID 94201532) is (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate.
What is the SMILES notation for (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate?
The canonical SMILES for (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate is C[C@@H](OCC1CC1)C(=O)Oc1cccc(C(N)=O)c1.
What is the InChIKey of (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate?
The InChIKey is LXDLUGKNSRCYMY-SECBINFHSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(18-8-10-5-6-10)14(17)19-12-4-2-3-11(7-12)13(15)16/h2-4,7,9-10H,5-6,8H2,1H3,(H2,15,16)/t9-/m1/s1.
What are the key properties of (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate?
(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate has a molecular weight of 263.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate is sourced from PubChem (CID 94201532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).