(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid

C7H16N2O2 — CID 45082351

IUPAC(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NCCN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)6(7(10)11)9-4-3-8/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyXTVNZWVSZBQLEU-LURJTMIESA-N
MW160.22 g/mol
LogP-0.36
Rot. Bonds5

About (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid

(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid (PubChem CID 45082351) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
PubChem CID45082351
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NCCN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)6(7(10)11)9-4-3-8/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyXTVNZWVSZBQLEU-LURJTMIESA-N
XLogP-0.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
(2S)-2-(2-aminoethylamino)-N-[4-[[(2S)-2-(2-aminoethylamino)-3-methylbutanoyl]amino]butyl]-3-methylbutanamide
CID 101373817
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
3-methyl-2-(3-oxopropylamino)butanoic acid
CID 59132005
(2S)-2-[[(2S)-2,3-diaminopropyl]amino]-3-methylbutanoic acid
CID 59819419
(2S)-2-(2-cyanoethylamino)-3-methylbutanoic acid
CID 11665476
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
2-(2-hydroxypropylamino)-3-methylbutanoic acid
CID 21121256
(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
CID 122124273
(2S)-2-[[(2R)-2-hydroxypropyl]amino]-3-methylbutanoic acid
CID 58703522
2-(2-cyclopentylethylamino)-3-methylbutanoic acid
CID 103240062
2-[3-(methanesulfonamido)propylamino]-3-methylbutanoic acid
CID 106340207

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid (CID 45082351) is (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid is CC(C)[C@H](NCCN)C(=O)O.
What is the InChIKey of (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid?
The InChIKey is XTVNZWVSZBQLEU-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(2)6(7(10)11)9-4-3-8/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid?
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethylamino)-3-methylbutanoic acid is sourced from PubChem (CID 45082351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).