(2S)-2-(formamidomethyl)-N'-methylpentanediamide

C8H15N3O3 — CID 170579266

IUPAC(2S)-2-(formamidomethyl)-N'-methylpentanediamide
SMILESCNC(=O)CC[C@@H](CNC=O)C(N)=O
InChIInChI=1S/C8H15N3O3/c1-10-7(13)3-2-6(8(9)14)4-11-5-12/h5-6H,2-4H2,1H3,(H2,9,14)(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyPXSWNWTVYMDUAR-LURJTMIESA-N
MW201.23 g/mol
LogP-1.64
Rot. Bonds7

About (2S)-2-(formamidomethyl)-N'-methylpentanediamide

(2S)-2-(formamidomethyl)-N'-methylpentanediamide (PubChem CID 170579266) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-(formamidomethyl)-N'-methylpentanediamide.

Molecular Properties

Compound Name(2S)-2-(formamidomethyl)-N'-methylpentanediamide
PubChem CID170579266
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-2-(formamidomethyl)-N'-methylpentanediamide
SMILESCNC(=O)CC[C@@H](CNC=O)C(N)=O
InChIInChI=1S/C8H15N3O3/c1-10-7(13)3-2-6(8(9)14)4-11-5-12/h5-6H,2-4H2,1H3,(H2,9,14)(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyPXSWNWTVYMDUAR-LURJTMIESA-N
XLogP-1.64
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(formamidomethyl)-N'-methylpentanediamide?
The IUPAC name of (2S)-2-(formamidomethyl)-N'-methylpentanediamide (CID 170579266) is (2S)-2-(formamidomethyl)-N'-methylpentanediamide.
What is the SMILES notation for (2S)-2-(formamidomethyl)-N'-methylpentanediamide?
The canonical SMILES for (2S)-2-(formamidomethyl)-N'-methylpentanediamide is CNC(=O)CC[C@@H](CNC=O)C(N)=O.
What is the InChIKey of (2S)-2-(formamidomethyl)-N'-methylpentanediamide?
The InChIKey is PXSWNWTVYMDUAR-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O3/c1-10-7(13)3-2-6(8(9)14)4-11-5-12/h5-6H,2-4H2,1H3,(H2,9,14)(H,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(formamidomethyl)-N'-methylpentanediamide?
(2S)-2-(formamidomethyl)-N'-methylpentanediamide has a molecular weight of 201.23 g/mol, XLogP of -1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(formamidomethyl)-N'-methylpentanediamide is sourced from PubChem (CID 170579266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).