(2S,3S)-2-(ethylamino)-3-methylpentanoic acid

C8H17NO2 — CID 87084096

IUPAC(2S,3S)-2-(ethylamino)-3-methylpentanoic acid
SMILESCCN[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C8H17NO2/c1-4-6(3)7(8(10)11)9-5-2/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyCPDIYSDSKGPIFR-BQBZGAKWSA-N
MW159.23 g/mol
LogP1.10
Rot. Bonds5

About (2S,3S)-2-(ethylamino)-3-methylpentanoic acid

(2S,3S)-2-(ethylamino)-3-methylpentanoic acid (PubChem CID 87084096) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S,3S)-2-(ethylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(ethylamino)-3-methylpentanoic acid
PubChem CID87084096
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S,3S)-2-(ethylamino)-3-methylpentanoic acid
SMILESCCN[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C8H17NO2/c1-4-6(3)7(8(10)11)9-5-2/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyCPDIYSDSKGPIFR-BQBZGAKWSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(ethylamino)-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-(ethylamino)-3-methylpentanoic acid (CID 87084096) is (2S,3S)-2-(ethylamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-(ethylamino)-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-(ethylamino)-3-methylpentanoic acid is CCN[C@H](C(=O)O)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-(ethylamino)-3-methylpentanoic acid?
The InChIKey is CPDIYSDSKGPIFR-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6(3)7(8(10)11)9-5-2/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-(ethylamino)-3-methylpentanoic acid?
(2S,3S)-2-(ethylamino)-3-methylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(ethylamino)-3-methylpentanoic acid is sourced from PubChem (CID 87084096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).