2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine

C23H28N2O3 — CID 162147233

IUPAC2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine
SMILESCCC(NC1C=Cc2ccccc21)c1ccccc1.O=C(O)CNCC1CO1
InChIInChI=1S/C18H19N.C5H9NO3/c1-2-17(15-9-4-3-5-10-15)19-18-13-12-14-8-6-7-11-16(14)18;7-5(8)2-6-1-4-3-9-4/h3-13,17-19H,2H2,1H3;4,6H,1-3H2,(H,7,8)
InChIKeyZKSJUUQIIZNATR-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.55
Rot. Bonds8

About 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine

2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine (PubChem CID 162147233) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine.

Molecular Properties

Compound Name2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine
PubChem CID162147233
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine
SMILESCCC(NC1C=Cc2ccccc21)c1ccccc1.O=C(O)CNCC1CO1
InChIInChI=1S/C18H19N.C5H9NO3/c1-2-17(15-9-4-3-5-10-15)19-18-13-12-14-8-6-7-11-16(14)18;7-5(8)2-6-1-4-3-9-4/h3-13,17-19H,2H2,1H3;4,6H,1-3H2,(H,7,8)
InChIKeyZKSJUUQIIZNATR-UHFFFAOYSA-N
XLogP3.55
TPSA73.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid
CID 40800949
2-[[(1R)-1H-inden-1-yl]amino]acetic acid
CID 40800894
N-(1-phenylpropyl)oxetan-3-amine
CID 63624948
N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide
CID 97180818
2-morpholin-2-yl-N-(1-phenylpropyl)acetamide
CID 66427474
2-cyclopropyl-N-(1-phenylpropyl)oxolan-3-amine
CID 113349312
2-[[(2R,5S,6S)-6-[5-[difluoro(iodo)methyl]-2-methylphenyl]-5-[(1R)-1-phenylpropyl]oxan-2-yl]methylamino]acetic acid
CID 163990838
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 62306268
2-methyl-N-(1-phenylpropyl)thian-3-amine
CID 79957680
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81333231

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine?
The IUPAC name of 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine (CID 162147233) is 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine.
What is the SMILES notation for 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine?
The canonical SMILES for 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine is CCC(NC1C=Cc2ccccc21)c1ccccc1.O=C(O)CNCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine?
The InChIKey is ZKSJUUQIIZNATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.C5H9NO3/c1-2-17(15-9-4-3-5-10-15)19-18-13-12-14-8-6-7-11-16(14)18;7-5(8)2-6-1-4-3-9-4/h3-13,17-19H,2H2,1H3;4,6H,1-3H2,(H,7,8).
What are the key properties of 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine?
2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine has a molecular weight of 380.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine is sourced from PubChem (CID 162147233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).