2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid

C16H22N2O3 — CID 62711751

IUPAC2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid
SMILESCC(CCc1ccccc1)NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-11(7-8-12-5-3-2-4-6-12)17-16(21)18-14(15(19)20)13-9-10-13/h2-6,11,13-14H,7-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLKEKMYJILGLFSB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.17
Rot. Bonds7

About 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid

2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid (PubChem CID 62711751) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid
PubChem CID62711751
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid
SMILESCC(CCc1ccccc1)NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-11(7-8-12-5-3-2-4-6-12)17-16(21)18-14(15(19)20)13-9-10-13/h2-6,11,13-14H,7-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLKEKMYJILGLFSB-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid
CID 5149828
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
CID 106760371
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 120521212
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
methyl (2S)-3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoate
CID 664807
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
(2S)-4-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 142848800
(2R,3R)-3-[[(2R)-4-phenylbutan-2-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 124771454

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid (CID 62711751) is 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid is CC(CCc1ccccc1)NC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid?
The InChIKey is LKEKMYJILGLFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(7-8-12-5-3-2-4-6-12)17-16(21)18-14(15(19)20)13-9-10-13/h2-6,11,13-14H,7-10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid?
2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-phenylbutan-2-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 62711751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).