methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate

C14H19N3O3 — CID 157035640

IUPACmethyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
SMILESCOC(=O)[C@@H](N)CNC(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C14H19N3O3/c1-20-13(18)11(15)8-16-14(19)17-12-7-6-9-4-2-3-5-10(9)12/h2-5,11-12H,6-8,15H2,1H3,(H2,16,17,19)/t11-,12+/m0/s1
InChIKeyLTINLNBJTLIRCL-NWDGAFQWSA-N
MW277.32 g/mol
LogP0.47
Rot. Bonds4

About methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate

methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate (PubChem CID 157035640) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
PubChem CID157035640
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
SMILESCOC(=O)[C@@H](N)CNC(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C14H19N3O3/c1-20-13(18)11(15)8-16-14(19)17-12-7-6-9-4-2-3-5-10(9)12/h2-5,11-12H,6-8,15H2,1H3,(H2,16,17,19)/t11-,12+/m0/s1
InChIKeyLTINLNBJTLIRCL-NWDGAFQWSA-N
XLogP0.47
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate with MolForge

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Related Compounds

(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
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
2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 106110085
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride
CID 163202613
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
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide
CID 42928312

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate?
The IUPAC name of methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate (CID 157035640) is methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate is COC(=O)[C@@H](N)CNC(=O)N[C@@H]1CCc2ccccc21.
What is the InChIKey of methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate?
The InChIKey is LTINLNBJTLIRCL-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-13(18)11(15)8-16-14(19)17-12-7-6-9-4-2-3-5-10(9)12/h2-5,11-12H,6-8,15H2,1H3,(H2,16,17,19)/t11-,12+/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate?
methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate has a molecular weight of 277.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate is sourced from PubChem (CID 157035640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).