N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide

C13H24N4O4 — CID 6722728

IUPACN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCCCN(CCC)C(=O)[C@H](CO)NC(=O)C1CNC(=O)N1
InChIInChI=1S/C13H24N4O4/c1-3-5-17(6-4-2)12(20)10(8-18)15-11(19)9-7-14-13(21)16-9/h9-10,18H,3-8H2,1-2H3,(H,15,19)(H2,14,16,21)/t9?,10-/m0/s1
InChIKeyPADADIVRCJBALP-AXDSSHIGSA-N
MW300.36 g/mol
LogP-1.21
Rot. Bonds8

About N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide

N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 6722728) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID6722728
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC NameN-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCCCN(CCC)C(=O)[C@H](CO)NC(=O)C1CNC(=O)N1
InChIInChI=1S/C13H24N4O4/c1-3-5-17(6-4-2)12(20)10(8-18)15-11(19)9-7-14-13(21)16-9/h9-10,18H,3-8H2,1-2H3,(H,15,19)(H2,14,16,21)/t9?,10-/m0/s1
InChIKeyPADADIVRCJBALP-AXDSSHIGSA-N
XLogP-1.21
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide (CID 6722728) is N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide is CCCN(CCC)C(=O)[C@H](CO)NC(=O)C1CNC(=O)N1.
What is the InChIKey of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is PADADIVRCJBALP-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-3-5-17(6-4-2)12(20)10(8-18)15-11(19)9-7-14-13(21)16-9/h9-10,18H,3-8H2,1-2H3,(H,15,19)(H2,14,16,21)/t9?,10-/m0/s1.
What are the key properties of N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide?
N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of -1.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 6722728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).