(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide

C11H23N3O2 — CID 10728135

IUPAC(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide
SMILESCCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NC
InChIInChI=1S/C11H23N3O2/c1-5-6-8(10(15)13-4)14-11(16)9(12)7(2)3/h7-9H,5-6,12H2,1-4H3,(H,13,15)(H,14,16)/t8-,9-/m0/s1
InChIKeyCKHZFBGXQXQERD-IUCAKERBSA-N
MW229.32 g/mol
LogP0.00
Rot. Bonds6

About (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide

(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide (PubChem CID 10728135) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide
PubChem CID10728135
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide
SMILESCCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NC
InChIInChI=1S/C11H23N3O2/c1-5-6-8(10(15)13-4)14-11(16)9(12)7(2)3/h7-9H,5-6,12H2,1-4H3,(H,13,15)(H,14,16)/t8-,9-/m0/s1
InChIKeyCKHZFBGXQXQERD-IUCAKERBSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 92910
L-Leucyl-L-alanine
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CID 6918293
Cyclo(glycyl-L-leucyl)
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Cyclo(L-leucyl-L-leucyl)
CID 192731
Leu-Gly
CID 97364
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 11735999
Cyclo(leucylglycine)
CID 2902
Leucylglycine
CID 79070
Isoleucylglycine
CID 342532
Cyclo(alanyl-leucyl)
CID 13879946
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide (CID 10728135) is (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide is CCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NC.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide?
The InChIKey is CKHZFBGXQXQERD-IUCAKERBSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-6-8(10(15)13-4)14-11(16)9(12)7(2)3/h7-9H,5-6,12H2,1-4H3,(H,13,15)(H,14,16)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide?
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide is sourced from PubChem (CID 10728135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).