N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride

C10H21ClN2O2 — CID 120506512

IUPACN-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
SMILESC=CCCOC(C)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-4-5-6-14-9(3)10(13)12-8(2)7-11;/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13);1H/t8-,9?;/m0./s1
InChIKeyZPQTZPWWNNBBJX-GUORDYTPSA-N
MW236.74 g/mol
LogP0.85
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride (PubChem CID 120506512) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
PubChem CID120506512
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
SMILESC=CCCOC(C)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-4-5-6-14-9(3)10(13)12-8(2)7-11;/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13);1H/t8-,9?;/m0./s1
InChIKeyZPQTZPWWNNBBJX-GUORDYTPSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.85
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'}

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119588761
(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
CID 103791004
(2S)-2-(2-but-3-enoxypropanoylamino)-3-methylbutanoic acid
CID 119360508
N-[(2R)-1-aminopropan-2-yl]-2-methoxypropanamide
CID 104873046
2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide
CID 120828523
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
2-(2-but-3-enoxypropanoylamino)-2-cyclopropylacetic acid
CID 119213547
2-but-3-enoxypropanoic acid
CID 43128770
N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119600308
N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride
CID 119422818
N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride
CID 120506402
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride (CID 120506512) is N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride is C=CCCOC(C)C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride?
The InChIKey is ZPQTZPWWNNBBJX-GUORDYTPSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-4-5-6-14-9(3)10(13)12-8(2)7-11;/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13);1H/t8-,9?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride is sourced from PubChem (CID 120506512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).