(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide

C7H14N2O2 — CID 90065128

IUPAC(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide
SMILESC=CCNC[C@H](O)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-3-4-9-5-6(10)7(11)8-2/h3,6,9-10H,1,4-5H2,2H3,(H,8,11)/t6-/m0/s1
InChIKeyJTKNLPWXSGIEHR-LURJTMIESA-N
MW158.20 g/mol
LogP-1.13
Rot. Bonds5

About (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide

(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide (PubChem CID 90065128) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide
PubChem CID90065128
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide
SMILESC=CCNC[C@H](O)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-3-4-9-5-6(10)7(11)8-2/h3,6,9-10H,1,4-5H2,2H3,(H,8,11)/t6-/m0/s1
InChIKeyJTKNLPWXSGIEHR-LURJTMIESA-N
XLogP-1.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide?
The IUPAC name of (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide (CID 90065128) is (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide is C=CCNC[C@H](O)C(=O)NC.
What is the InChIKey of (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide?
The InChIKey is JTKNLPWXSGIEHR-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-9-5-6(10)7(11)8-2/h3,6,9-10H,1,4-5H2,2H3,(H,8,11)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide?
(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide has a molecular weight of 158.20 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 90065128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).