(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide

C10H22N2O — CID 93001596

IUPAC(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
SMILESCC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)CC
InChIInChI=1S/C10H22N2O/c1-5-7(3)9(11)10(13)12-8(4)6-2/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t7-,8+,9-/m1/s1
InChIKeyMGGGBJJNLFCEPU-HRDYMLBCSA-N
MW186.30 g/mol
LogP1.27
Rot. Bonds5

About (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide

(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide (PubChem CID 93001596) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
PubChem CID93001596
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
SMILESCC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)CC
InChIInChI=1S/C10H22N2O/c1-5-7(3)9(11)10(13)12-8(4)6-2/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t7-,8+,9-/m1/s1
InChIKeyMGGGBJJNLFCEPU-HRDYMLBCSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
(2S,3S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylpentanamide
CID 103833178
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472767
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate
CID 119709055
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride
CID 119740547
(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide?
The IUPAC name of (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide (CID 93001596) is (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide.
What is the SMILES notation for (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide?
The canonical SMILES for (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide is CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)CC.
What is the InChIKey of (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide?
The InChIKey is MGGGBJJNLFCEPU-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-7(3)9(11)10(13)12-8(4)6-2/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t7-,8+,9-/m1/s1.
What are the key properties of (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide?
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide has a molecular weight of 186.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 93001596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).