(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide

C13H29N3O2 — CID 88667653

IUPAC(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC[C@@H](O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H29N3O2/c1-8(2)5-10(14)12(17)7-16-13(18)11(15)6-9(3)4/h8-12,17H,5-7,14-15H2,1-4H3,(H,16,18)/t10-,11-,12+/m0/s1
InChIKeySFKSCKPSHDKPIP-SDDRHHMPSA-N
MW259.39 g/mol
LogP0.21
Rot. Bonds8

About (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide

(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide (PubChem CID 88667653) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
PubChem CID88667653
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC[C@@H](O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H29N3O2/c1-8(2)5-10(14)12(17)7-16-13(18)11(15)6-9(3)4/h8-12,17H,5-7,14-15H2,1-4H3,(H,16,18)/t10-,11-,12+/m0/s1
InChIKeySFKSCKPSHDKPIP-SDDRHHMPSA-N
XLogP0.21
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
CID 119783564
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475476
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-4-methyl-N-pent-3-ynylpentanamide
CID 116644158
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide (CID 88667653) is (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC[C@@H](O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide?
The InChIKey is SFKSCKPSHDKPIP-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-8(2)5-10(14)12(17)7-16-13(18)11(15)6-9(3)4/h8-12,17H,5-7,14-15H2,1-4H3,(H,16,18)/t10-,11-,12+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide?
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide has a molecular weight of 259.39 g/mol, XLogP of 0.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide is sourced from PubChem (CID 88667653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).