(2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol

C7H15NO2 — CID 106932611

IUPAC(2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol
SMILESC[C@H](O)CNC1(CO)CC1
InChIInChI=1S/C7H15NO2/c1-6(10)4-8-7(5-9)2-3-7/h6,8-10H,2-5H2,1H3/t6-/m0/s1
InChIKeyVCRLJPKRYSEAGM-LURJTMIESA-N
MW145.20 g/mol
LogP-0.52
Rot. Bonds4

About (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol

(2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol (PubChem CID 106932611) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol
PubChem CID106932611
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol
SMILESC[C@H](O)CNC1(CO)CC1
InChIInChI=1S/C7H15NO2/c1-6(10)4-8-7(5-9)2-3-7/h6,8-10H,2-5H2,1H3/t6-/m0/s1
InChIKeyVCRLJPKRYSEAGM-LURJTMIESA-N
XLogP-0.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
[8-(2-methylpropylamino)spiro[4.5]decan-8-yl]methanol
CID 114819869
[4-(2-methylpropylamino)thian-4-yl]methanol
CID 61338166
[3,3-dimethyl-1-(2-methylpropylamino)cyclopentyl]methanol
CID 80699594
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
CID 63697255
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62517581
1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 63900670
1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 62522227

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol (CID 106932611) is (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol is C[C@H](O)CNC1(CO)CC1.
What is the InChIKey of (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol?
The InChIKey is VCRLJPKRYSEAGM-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(10)4-8-7(5-9)2-3-7/h6,8-10H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol?
(2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol has a molecular weight of 145.20 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol is sourced from PubChem (CID 106932611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).