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

C13H18N2O2 — CID 54123680

IUPAC(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide
SMILESCN(C1Cc2ccccc2C1)[C@H](CO)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-15(12(8-16)13(14)17)11-6-9-4-2-3-5-10(9)7-11/h2-5,11-12,16H,6-8H2,1H3,(H2,14,17)/t12-/m1/s1
InChIKeyNPMLNWFLBYACIP-GFCCVEGCSA-N
MW234.30 g/mol
LogP-0.07
Rot. Bonds4

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

(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide (PubChem CID 54123680) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide
PubChem CID54123680
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide
SMILESCN(C1Cc2ccccc2C1)[C@H](CO)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-15(12(8-16)13(14)17)11-6-9-4-2-3-5-10(9)7-11/h2-5,11-12,16H,6-8H2,1H3,(H2,14,17)/t12-/m1/s1
InChIKeyNPMLNWFLBYACIP-GFCCVEGCSA-N
XLogP-0.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
CID 95147060
(2R)-2-[benzyl(methyl)amino]-3-hydroxypropanamide
CID 14621674
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
CID 119746208
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
CID 119746207
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
N-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanesulfonamide
CID 21253375
methyl (1R,5S)-6-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 56898606
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 119325725
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 784635
2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
CID 178025111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide?
The IUPAC name of (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide (CID 54123680) is (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide?
The canonical SMILES for (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide is CN(C1Cc2ccccc2C1)[C@H](CO)C(N)=O.
What is the InChIKey of (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide?
The InChIKey is NPMLNWFLBYACIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(12(8-16)13(14)17)11-6-9-4-2-3-5-10(9)7-11/h2-5,11-12,16H,6-8H2,1H3,(H2,14,17)/t12-/m1/s1.
What are the key properties of (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide?
(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide has a molecular weight of 234.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide is sourced from PubChem (CID 54123680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).