N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride

C10H21ClN2O2 — CID 120506402

IUPACN-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride
SMILESC=CCOCCCC(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-3-6-14-7-4-5-10(13)12-9(2)8-11;/h3,9H,1,4-8,11H2,2H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyPCNTVLYXGUEMJY-FVGYRXGTSA-N
MW236.74 g/mol
LogP0.85
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride (PubChem CID 120506402) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride
PubChem CID120506402
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride
SMILESC=CCOCCCC(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-3-6-14-7-4-5-10(13)12-9(2)8-11;/h3,9H,1,4-8,11H2,2H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyPCNTVLYXGUEMJY-FVGYRXGTSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
CID 104872961
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride
CID 119583219
N-(3-aminopropyl)-4-prop-2-enoxybutanamide
CID 119406893
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
CID 120506512
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
CID 175039134
N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 120506795
4-ethoxy-N-(4-hydroxybutan-2-yl)butanamide
CID 81048367
N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride
CID 119566629

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride (CID 120506402) is N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride is C=CCOCCCC(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride?
The InChIKey is PCNTVLYXGUEMJY-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-3-6-14-7-4-5-10(13)12-9(2)8-11;/h3,9H,1,4-8,11H2,2H3,(H,12,13);1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.85, 8 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]-4-prop-2-enoxybutanamide;hydrochloride is sourced from PubChem (CID 120506402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).