(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid

C8H17NO2 — CID 163817933

IUPAC(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid
SMILESCCC(CC(=O)O)[C@@H](C)CN
InChIInChI=1S/C8H17NO2/c1-3-7(4-8(10)11)6(2)5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7?/m0/s1
InChIKeyNSXNIXLRTHTCHX-PKPIPKONSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds5

About (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid

(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid (PubChem CID 163817933) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid.

Molecular Properties

Compound Name(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid
PubChem CID163817933
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid
SMILESCCC(CC(=O)O)[C@@H](C)CN
InChIInChI=1S/C8H17NO2/c1-3-7(4-8(10)11)6(2)5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7?/m0/s1
InChIKeyNSXNIXLRTHTCHX-PKPIPKONSA-N
XLogP1.08
TPSA63.32 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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dihydroxymethyl)pentanoic acid
CID 87108659
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
(3R)-3-amino-4-ethylhexanoic acid
CID 738110
3-amino-4-ethylhexanoic acid
CID 2733734
4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
3-ethyl-2-methylhexan-1-amine
CID 91121737
3-ethyl-2-methylpentane-1,5-diamine
CID 88540021
3,4-diethylnonanedioic acid
CID 89315714
2-(aminomethyl)-4-ethyl-3-methylhexanoic acid
CID 87761013
3-ethyl-4-phenylpentanoic acid
CID 57075927

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid?
The IUPAC name of (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid (CID 163817933) is (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid.
What is the SMILES notation for (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid?
The canonical SMILES for (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid is CCC(CC(=O)O)[C@@H](C)CN.
What is the InChIKey of (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid?
The InChIKey is NSXNIXLRTHTCHX-PKPIPKONSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-7(4-8(10)11)6(2)5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7?/m0/s1.
What are the key properties of (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid?
(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid is sourced from PubChem (CID 163817933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).