(2S,3S)-3-methyl-2-(propylamino)pentanoic acid

C9H19NO2 — CID 140981705

IUPAC(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
SMILESCCCN[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C9H19NO2/c1-4-6-10-8(9(11)12)7(3)5-2/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyISHKRNXLVREQBA-YUMQZZPRSA-N
MW173.26 g/mol
LogP1.49
Rot. Bonds6

About (2S,3S)-3-methyl-2-(propylamino)pentanoic acid

(2S,3S)-3-methyl-2-(propylamino)pentanoic acid (PubChem CID 140981705) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
PubChem CID140981705
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
SMILESCCCN[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C9H19NO2/c1-4-6-10-8(9(11)12)7(3)5-2/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyISHKRNXLVREQBA-YUMQZZPRSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
(2S,3S)-3-methyl-2-[[(Z)-octadec-9-enyl]amino]pentanoic acid
CID 141489273
(2S)-3-methyl-2-(3-sulfopropylamino)pentanoic acid
CID 58931838
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
2-(2-methoxyethylamino)-3-methylhexanoic acid
CID 62542076
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
2-(heptylcarbamoylamino)-3-methylpentanoic acid
CID 3390588
3-methyl-2-(pentan-2-ylcarbamoylamino)pentanoic acid
CID 61183090
3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
CID 61157730

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(propylamino)pentanoic acid (CID 140981705) is (2S,3S)-3-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(propylamino)pentanoic acid is CCCN[C@H](C(=O)O)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-3-methyl-2-(propylamino)pentanoic acid?
The InChIKey is ISHKRNXLVREQBA-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-10-8(9(11)12)7(3)5-2/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(propylamino)pentanoic acid?
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 140981705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).