2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene

C15H23NO3 — CID 145410713

IUPAC2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene
SMILESC=CCCC.C=O.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C5H10.CH2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-3-5-4-2;1-2/h1-5,8H,6,10H2,(H,11,12);3H,1,4-5H2,2H3;1H2
InChIKeyNNXRZZCMSNMSOY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds5

About 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene

2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene (PubChem CID 145410713) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene
PubChem CID145410713
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene
SMILESC=CCCC.C=O.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C5H10.CH2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-3-5-4-2;1-2/h1-5,8H,6,10H2,(H,11,12);3H,1,4-5H2,2H3;1H2
InChIKeyNNXRZZCMSNMSOY-UHFFFAOYSA-N
XLogP2.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
2-amino-3-phenylpropanoic acid;3-prop-2-enylsulfonylprop-1-ene
CID 69031048
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene?
The IUPAC name of 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene (CID 145410713) is 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene is C=CCCC.C=O.NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene?
The InChIKey is NNXRZZCMSNMSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C5H10.CH2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-3-5-4-2;1-2/h1-5,8H,6,10H2,(H,11,12);3H,1,4-5H2,2H3;1H2.
What are the key properties of 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene?
2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene has a molecular weight of 265.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;formaldehyde;pent-1-ene is sourced from PubChem (CID 145410713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).