(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C12H25N3O2 — CID 7437265

IUPAC(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](NCCN(C)C)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C12H25N3O2/c1-10(13-6-7-15(2)3)12(16)14-9-11-5-4-8-17-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyHLVMXTGHDWAPDL-WDEREUQCSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds7

About (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 7437265) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID7437265
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](NCCN(C)C)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C12H25N3O2/c1-10(13-6-7-15(2)3)12(16)14-9-11-5-4-8-17-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyHLVMXTGHDWAPDL-WDEREUQCSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 43086819
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
N-methyl-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 61038745
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
1-[3-(dimethylamino)propyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 27450952
N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 7437265) is (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@H](NCCN(C)C)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is HLVMXTGHDWAPDL-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(13-6-7-15(2)3)12(16)14-9-11-5-4-8-17-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10-,11+/m0/s1.
What are the key properties of (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 7437265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).