(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide

C11H23N3O2 — CID 82962524

IUPAC(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCCCCNC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H23N3O2/c1-4-5-6-13-9(15)7-14-11(16)10(12)8(2)3/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyVQWMUMYRPQKYTH-JTQLQIEISA-N
MW229.32 g/mol
LogP0.00
Rot. Bonds7

About (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 82962524) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
PubChem CID82962524
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCCCCNC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H23N3O2/c1-4-5-6-13-9(15)7-14-11(16)10(12)8(2)3/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyVQWMUMYRPQKYTH-JTQLQIEISA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
ethyl 4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]butanoate
CID 82962195
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
(2S)-2-amino-3-methyl-N-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethyl]butanamide
CID 82961460
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide (CID 82962524) is (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide is CCCCNC(=O)CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is VQWMUMYRPQKYTH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-5-6-13-9(15)7-14-11(16)10(12)8(2)3/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82962524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).