2-hydroxy-3-(2-methylidenebutylamino)propanamide

C8H16N2O2 — CID 106174392

IUPAC2-hydroxy-3-(2-methylidenebutylamino)propanamide
SMILESC=C(CC)CNCC(O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-3-6(2)4-10-5-7(11)8(9)12/h7,10-11H,2-5H2,1H3,(H2,9,12)
InChIKeyCIHZALAGAKVBEP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.61
Rot. Bonds6

About 2-hydroxy-3-(2-methylidenebutylamino)propanamide

2-hydroxy-3-(2-methylidenebutylamino)propanamide (PubChem CID 106174392) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylidenebutylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylidenebutylamino)propanamide
PubChem CID106174392
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-hydroxy-3-(2-methylidenebutylamino)propanamide
SMILESC=C(CC)CNCC(O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-3-6(2)4-10-5-7(11)8(9)12/h7,10-11H,2-5H2,1H3,(H2,9,12)
InChIKeyCIHZALAGAKVBEP-UHFFFAOYSA-N
XLogP-0.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide
CID 149038162
3-(Hex-5-en-2-ylamino)-2-hydroxypropanamide
CID 106170339
3-(But-3-enylamino)-2-hydroxypropanamide
CID 106174364
3-(But-3-en-2-ylamino)-2-hydroxypropanamide
CID 106174427
2-Hydroxy-3-(2-methylprop-2-enylamino)propanamide
CID 106174619
2-Hydroxy-3-(3-methylbut-3-enylamino)propanamide
CID 106174637
2-Hydroxy-3-(3-methylbut-2-enylamino)propanamide
CID 106174648
2-Hydroxy-3-(pent-4-enylamino)propanamide
CID 106174789
(Z)-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methylpent-2-enamide
CID 107362628
3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide
CID 142151029

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylidenebutylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(2-methylidenebutylamino)propanamide (CID 106174392) is 2-hydroxy-3-(2-methylidenebutylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(2-methylidenebutylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(2-methylidenebutylamino)propanamide is C=C(CC)CNCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(2-methylidenebutylamino)propanamide?
The InChIKey is CIHZALAGAKVBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-6(2)4-10-5-7(11)8(9)12/h7,10-11H,2-5H2,1H3,(H2,9,12).
What are the key properties of 2-hydroxy-3-(2-methylidenebutylamino)propanamide?
2-hydroxy-3-(2-methylidenebutylamino)propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylidenebutylamino)propanamide is sourced from PubChem (CID 106174392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).