2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid

C14H18N2O3 — CID 15615006

IUPAC2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid
SMILESC[C@H](N)C(=O)N(CC(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2O3/c1-9(15)14(19)16(8-13(17)18)12-6-5-10-3-2-4-11(10)7-12/h5-7,9H,2-4,8,15H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyVKLPBIXOABXPHX-VIFPVBQESA-N
MW262.31 g/mol
LogP0.94
Rot. Bonds4

About 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid

2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid (PubChem CID 15615006) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid
PubChem CID15615006
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid
SMILESC[C@H](N)C(=O)N(CC(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2O3/c1-9(15)14(19)16(8-13(17)18)12-6-5-10-3-2-4-11(10)7-12/h5-7,9H,2-4,8,15H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyVKLPBIXOABXPHX-VIFPVBQESA-N
XLogP0.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
3-amino-4-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]butanoic acid
CID 115241543
4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-3-hydroxybutanoic acid
CID 115122929
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
N-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
CID 115190982
N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
CID 115194463
4-amino-N,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 115156272
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
CID 43084240

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid (CID 15615006) is 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid is C[C@H](N)C(=O)N(CC(=O)O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid?
The InChIKey is VKLPBIXOABXPHX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(15)14(19)16(8-13(17)18)12-6-5-10-3-2-4-11(10)7-12/h5-7,9H,2-4,8,15H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid?
2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid is sourced from PubChem (CID 15615006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).