(3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide

C10H17NO3 — CID 124703884

IUPAC(3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide
SMILESC=CCCONC(=O)C[C@H](O)C(=C)C
InChIInChI=1S/C10H17NO3/c1-4-5-6-14-11-10(13)7-9(12)8(2)3/h4,9,12H,1-2,5-7H2,3H3,(H,11,13)/t9-/m0/s1
InChIKeyXGKKPVZERJRZRT-VIFPVBQESA-N
MW199.25 g/mol
LogP0.94
Rot. Bonds7

About (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide

(3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide (PubChem CID 124703884) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide.

Molecular Properties

Compound Name(3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide
PubChem CID124703884
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide
SMILESC=CCCONC(=O)C[C@H](O)C(=C)C
InChIInChI=1S/C10H17NO3/c1-4-5-6-14-11-10(13)7-9(12)8(2)3/h4,9,12H,1-2,5-7H2,3H3,(H,11,13)/t9-/m0/s1
InChIKeyXGKKPVZERJRZRT-VIFPVBQESA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide
CID 124707819
2-methyl-N-undec-10-enoxyprop-2-enamide
CID 102118216
(3S)-3-hydroxy-4-methylpent-4-enoic acid
CID 75481565
bis(but-3-enyl) 2-methylpropanedioate
CID 90481204
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
hepta-1,6-diene;2-methylhepta-1,6-dien-3-ol
CID 161073978
ethyl N-but-3-enoxycarbonylcarbamate
CID 15307637
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
pent-4-enyl (2R)-2,4-dimethylpent-4-enoate
CID 135013012
methyl (2R)-2-hydroxy-2-pent-4-enoxyacetate
CID 101037696
2,4-dimethylpent-1-en-3-one;4-methoxybut-1-ene
CID 157278804
methyl (2S)-2-hydroxy-2-pent-4-enoxyacetate
CID 101037697

Frequently Asked Questions

What is the IUPAC name of (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide?
The IUPAC name of (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide (CID 124703884) is (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide.
What is the SMILES notation for (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide?
The canonical SMILES for (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide is C=CCCONC(=O)C[C@H](O)C(=C)C.
What is the InChIKey of (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide?
The InChIKey is XGKKPVZERJRZRT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-6-14-11-10(13)7-9(12)8(2)3/h4,9,12H,1-2,5-7H2,3H3,(H,11,13)/t9-/m0/s1.
What are the key properties of (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide?
(3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide is sourced from PubChem (CID 124703884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).