(2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal

C8H15NO2 — CID 88945901

IUPAC(2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal
SMILESCCC1CC1N[C@H](C=O)CO
InChIInChI=1S/C8H15NO2/c1-2-6-3-8(6)9-7(4-10)5-11/h4,6-9,11H,2-3,5H2,1H3/t6?,7-,8?/m1/s1
InChIKeyVAWLADGKITXJGL-ZUEIMRROSA-N
MW157.21 g/mol
LogP-0.07
Rot. Bonds5

About (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal

(2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal (PubChem CID 88945901) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal.

Molecular Properties

Compound Name(2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal
PubChem CID88945901
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal
SMILESCCC1CC1N[C@H](C=O)CO
InChIInChI=1S/C8H15NO2/c1-2-6-3-8(6)9-7(4-10)5-11/h4,6-9,11H,2-3,5H2,1H3/t6?,7-,8?/m1/s1
InChIKeyVAWLADGKITXJGL-ZUEIMRROSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal?
The IUPAC name of (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal (CID 88945901) is (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal.
What is the SMILES notation for (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal?
The canonical SMILES for (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal is CCC1CC1N[C@H](C=O)CO.
What is the InChIKey of (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal?
The InChIKey is VAWLADGKITXJGL-ZUEIMRROSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-6-3-8(6)9-7(4-10)5-11/h4,6-9,11H,2-3,5H2,1H3/t6?,7-,8?/m1/s1.
What are the key properties of (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal?
(2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal has a molecular weight of 157.21 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethylcyclopropyl)amino]-3-hydroxypropanal is sourced from PubChem (CID 88945901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).