2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide

C10H21N3O3 — CID 67242694

IUPAC2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(CN(CCO)CCO)N[C@H]1CCNC1
InChIInChI=1S/C10H21N3O3/c14-5-3-13(4-6-15)8-10(16)12-9-1-2-11-7-9/h9,11,14-15H,1-8H2,(H,12,16)/t9-/m0/s1
InChIKeyGHOKITWJAHCSQE-VIFPVBQESA-N
MW231.30 g/mol
LogP-2.25
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide

2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 67242694) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID67242694
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(CN(CCO)CCO)N[C@H]1CCNC1
InChIInChI=1S/C10H21N3O3/c14-5-3-13(4-6-15)8-10(16)12-9-1-2-11-7-9/h9,11,14-15H,1-8H2,(H,12,16)/t9-/m0/s1
InChIKeyGHOKITWJAHCSQE-VIFPVBQESA-N
XLogP-2.25
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 67242694) is 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide is O=C(CN(CCO)CCO)N[C@H]1CCNC1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is GHOKITWJAHCSQE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O3/c14-5-3-13(4-6-15)8-10(16)12-9-1-2-11-7-9/h9,11,14-15H,1-8H2,(H,12,16)/t9-/m0/s1.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide?
2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 231.30 g/mol, XLogP of -2.25, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 67242694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).