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

C8H18N2O2 — CID 71365518

IUPAC(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NCCN)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-3-6(2)7(8(11)12)10-5-4-9/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyKSQJNQPYKHAXDI-BQBZGAKWSA-N
MW174.24 g/mol
LogP0.03
Rot. Bonds6

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

(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid (PubChem CID 71365518) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
PubChem CID71365518
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NCCN)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-3-6(2)7(8(11)12)10-5-4-9/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyKSQJNQPYKHAXDI-BQBZGAKWSA-N
XLogP0.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
2-[(4-amino-2-methylbutanoyl)amino]-3-methylpentanoic acid
CID 80543638
2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 62669281
(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-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
(2S)-2-[(ethoxycarbonylamino)methylamino]-3-methylpentanoic acid
CID 21120319
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
(2S,3S)-3-methyl-2-[[(Z)-octadec-9-enyl]amino]pentanoic acid
CID 141489273

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid (CID 71365518) is (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid is CC[C@H](C)[C@H](NCCN)C(=O)O.
What is the InChIKey of (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid?
The InChIKey is KSQJNQPYKHAXDI-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-6(2)7(8(11)12)10-5-4-9/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid?
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid is sourced from PubChem (CID 71365518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).