(3S,4S)-3-amino-4-propan-2-yloxypentanoic acid

C8H17NO3 — CID 72548057

IUPAC(3S,4S)-3-amino-4-propan-2-yloxypentanoic acid
SMILESCC(C)O[C@@H](C)[C@@H](N)CC(=O)O
InChIInChI=1S/C8H17NO3/c1-5(2)12-6(3)7(9)4-8(10)11/h5-7H,4,9H2,1-3H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyCMIDXRWRPLNTHZ-BQBZGAKWSA-N
MW175.23 g/mol
LogP0.60
Rot. Bonds5

About (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid

(3S,4S)-3-amino-4-propan-2-yloxypentanoic acid (PubChem CID 72548057) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-propan-2-yloxypentanoic acid
PubChem CID72548057
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(3S,4S)-3-amino-4-propan-2-yloxypentanoic acid
SMILESCC(C)O[C@@H](C)[C@@H](N)CC(=O)O
InChIInChI=1S/C8H17NO3/c1-5(2)12-6(3)7(9)4-8(10)11/h5-7H,4,9H2,1-3H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyCMIDXRWRPLNTHZ-BQBZGAKWSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-di(propan-2-yloxy)propanoic acid
CID 87167020
azane;3,4-diaminopentanoic acid
CID 173404371
3-amino-4-sulfanylpentanoic acid
CID 57282100
3-amino-4,5,6-trimethylheptanoic acid
CID 11367460
sodium;3,4-diaminopentanoic acid;hydride;iron
CID 173404535
4-oxo-3-propan-2-yloxybutanoic acid
CID 177019127
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
(3R)-3-amino-4-ethylhexanoic acid
CID 738110
3-amino-4-ethylhexanoic acid
CID 2733734
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid?
The IUPAC name of (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid (CID 72548057) is (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid.
What is the SMILES notation for (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid?
The canonical SMILES for (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid is CC(C)O[C@@H](C)[C@@H](N)CC(=O)O.
What is the InChIKey of (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid?
The InChIKey is CMIDXRWRPLNTHZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5(2)12-6(3)7(9)4-8(10)11/h5-7H,4,9H2,1-3H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid?
(3S,4S)-3-amino-4-propan-2-yloxypentanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-propan-2-yloxypentanoic acid is sourced from PubChem (CID 72548057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).