(2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide

C8H15N3O2 — CID 174002943

IUPAC(2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide
SMILESC=C(C)NC(=O)[C@H](C)NC(=O)NC
InChIInChI=1S/C8H15N3O2/c1-5(2)10-7(12)6(3)11-8(13)9-4/h6H,1H2,2-4H3,(H,10,12)(H2,9,11,13)/t6-/m0/s1
InChIKeyUTHMWFFHGXYCPJ-LURJTMIESA-N
MW185.23 g/mol
LogP-0.05
Rot. Bonds3

About (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide

(2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide (PubChem CID 174002943) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide
PubChem CID174002943
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide
SMILESC=C(C)NC(=O)[C@H](C)NC(=O)NC
InChIInChI=1S/C8H15N3O2/c1-5(2)10-7(12)6(3)11-8(13)9-4/h6H,1H2,2-4H3,(H,10,12)(H2,9,11,13)/t6-/m0/s1
InChIKeyUTHMWFFHGXYCPJ-LURJTMIESA-N
XLogP-0.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide?
The IUPAC name of (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide (CID 174002943) is (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide?
The canonical SMILES for (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide is C=C(C)NC(=O)[C@H](C)NC(=O)NC.
What is the InChIKey of (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide?
The InChIKey is UTHMWFFHGXYCPJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(2)10-7(12)6(3)11-8(13)9-4/h6H,1H2,2-4H3,(H,10,12)(H2,9,11,13)/t6-/m0/s1.
What are the key properties of (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide?
(2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide has a molecular weight of 185.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylcarbamoylamino)-N-prop-1-en-2-ylpropanamide is sourced from PubChem (CID 174002943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).