2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile

C7H11N3O — CID 106932699

IUPAC2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile
SMILESC[C@@H](O)CN(CC#N)CC#N
InChIInChI=1S/C7H11N3O/c1-7(11)6-10(4-2-8)5-3-9/h7,11H,4-6H2,1H3/t7-/m1/s1
InChIKeyLLDGRROYZWDRDQ-SSDOTTSWSA-N
MW153.18 g/mol
LogP-0.28
Rot. Bonds4

About 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile

2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile (PubChem CID 106932699) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile
PubChem CID106932699
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile
SMILESC[C@@H](O)CN(CC#N)CC#N
InChIInChI=1S/C7H11N3O/c1-7(11)6-10(4-2-8)5-3-9/h7,11H,4-6H2,1H3/t7-/m1/s1
InChIKeyLLDGRROYZWDRDQ-SSDOTTSWSA-N
XLogP-0.28
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[cyanomethyl(2,2-dimethoxyethyl)amino]acetonitrile
CID 66222758
bis((2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol);2-methylpropan-2-ol;zirconium;dihydrate
CID 134991132
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051
tert-butyl N-(cyanomethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184665
1-[hydroxymethyl(propyl)amino]propan-2-ol
CID 22642440
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetonitrile
CID 63900671
4-[2-[bis(cyanomethyl)amino]-1-hydroxyethyl]benzonitrile
CID 43288643
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile?
The IUPAC name of 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile (CID 106932699) is 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile.
What is the SMILES notation for 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile?
The canonical SMILES for 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile is C[C@@H](O)CN(CC#N)CC#N.
What is the InChIKey of 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile?
The InChIKey is LLDGRROYZWDRDQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11N3O/c1-7(11)6-10(4-2-8)5-3-9/h7,11H,4-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile?
2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile has a molecular weight of 153.18 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile is sourced from PubChem (CID 106932699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).