1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide

C14H18N2O2 — CID 107221819

IUPAC1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1
InChIInChI=1S/C14H18N2O2/c15-8-14(5-6-14)13(18)16-12-10-4-2-1-3-9(10)7-11(12)17/h1-4,11-12,17H,5-8,15H2,(H,16,18)/t11-,12+/m1/s1
InChIKeySNWYBHWFEDFASH-NEPJUHHUSA-N
MW246.31 g/mol
LogP0.50
Rot. Bonds3

About 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide (PubChem CID 107221819) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
PubChem CID107221819
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1
InChIInChI=1S/C14H18N2O2/c15-8-14(5-6-14)13(18)16-12-10-4-2-1-3-9(10)7-11(12)17/h1-4,11-12,17H,5-8,15H2,(H,16,18)/t11-,12+/m1/s1
InChIKeySNWYBHWFEDFASH-NEPJUHHUSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 107221770
1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107222320
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
CID 107222234
1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
CID 107221873
4-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103950748
N-(2-aminoethyl)-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 107211873
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
5-amino-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 77313664
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide (CID 107221819) is 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide is NCC1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide?
The InChIKey is SNWYBHWFEDFASH-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-8-14(5-6-14)13(18)16-12-10-4-2-1-3-9(10)7-11(12)17/h1-4,11-12,17H,5-8,15H2,(H,16,18)/t11-,12+/m1/s1.
What are the key properties of 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 107221819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).