(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid

C13H17N3O3 — CID 70945803

IUPAC(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
SMILESN[C@@H](CNC(=O)NC1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H17N3O3/c14-10(12(17)18)7-15-13(19)16-11-6-5-8-3-1-2-4-9(8)11/h1-4,10-11H,5-7,14H2,(H,17,18)(H2,15,16,19)/t10-,11?/m0/s1
InChIKeyYGJKSKSPSLOLPP-VUWPPUDQSA-N
MW263.30 g/mol
LogP0.38
Rot. Bonds4

About (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid

(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid (PubChem CID 70945803) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
PubChem CID70945803
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
SMILESN[C@@H](CNC(=O)NC1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H17N3O3/c14-10(12(17)18)7-15-13(19)16-11-6-5-8-3-1-2-4-9(8)11/h1-4,10-11H,5-7,14H2,(H,17,18)(H2,15,16,19)/t10-,11?/m0/s1
InChIKeyYGJKSKSPSLOLPP-VUWPPUDQSA-N
XLogP0.38
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
CID 157035640
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
benzyl (2S)-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-2-methylpropanoate
CID 157035661
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 110887524
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 106110085
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid (CID 70945803) is (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid is N[C@@H](CNC(=O)NC1CCc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid?
The InChIKey is YGJKSKSPSLOLPP-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10(12(17)18)7-15-13(19)16-11-6-5-8-3-1-2-4-9(8)11/h1-4,10-11H,5-7,14H2,(H,17,18)(H2,15,16,19)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid?
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid has a molecular weight of 263.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 70945803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).