2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid

C13H16N2O3 — CID 62696371

IUPAC2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
SMILESNC(=O)c1cccc(CNC(C(=O)O)C2CC2)c1
InChIInChI=1S/C13H16N2O3/c14-12(16)10-3-1-2-8(6-10)7-15-11(13(17)18)9-4-5-9/h1-3,6,9,11,15H,4-5,7H2,(H2,14,16)(H,17,18)
InChIKeyDKNVPRMTCXPOFO-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.74
Rot. Bonds6

About 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid

2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid (PubChem CID 62696371) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
PubChem CID62696371
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
SMILESNC(=O)c1cccc(CNC(C(=O)O)C2CC2)c1
InChIInChI=1S/C13H16N2O3/c14-12(16)10-3-1-2-8(6-10)7-15-11(13(17)18)9-4-5-9/h1-3,6,9,11,15H,4-5,7H2,(H2,14,16)(H,17,18)
InChIKeyDKNVPRMTCXPOFO-UHFFFAOYSA-N
XLogP0.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid
CID 65059963
2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
CID 107105253
3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43664751
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
CID 62696587
2-[(4-bromo-3-methylphenyl)methylamino]-2-cyclopropylacetic acid
CID 66479518
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
3-[(thiolan-3-ylamino)methyl]benzamide
CID 43664732

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid (CID 62696371) is 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid is NC(=O)c1cccc(CNC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid?
The InChIKey is DKNVPRMTCXPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-12(16)10-3-1-2-8(6-10)7-15-11(13(17)18)9-4-5-9/h1-3,6,9,11,15H,4-5,7H2,(H2,14,16)(H,17,18).
What are the key properties of 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid?
2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).