(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide

C12H23N3O2 — CID 61173174

IUPAC(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-4-8(2)11(13)12(17)15(3)7-10(16)14-9-5-6-9/h8-9,11H,4-7,13H2,1-3H3,(H,14,16)/t8?,11-/m0/s1
InChIKeyIEWIHXDIUDZZLT-LYNSQETBSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds6

About (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide

(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide (PubChem CID 61173174) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
PubChem CID61173174
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-4-8(2)11(13)12(17)15(3)7-10(16)14-9-5-6-9/h8-9,11H,4-7,13H2,1-3H3,(H,14,16)/t8?,11-/m0/s1
InChIKeyIEWIHXDIUDZZLT-LYNSQETBSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-amino-N-(cyclobutylmethyl)-N,3-dimethylpentanamide
CID 62862218
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
CID 60944981
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151192
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate
CID 64661878
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 63595362

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide (CID 61173174) is (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide is CCC(C)[C@H](N)C(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide?
The InChIKey is IEWIHXDIUDZZLT-LYNSQETBSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-8(2)11(13)12(17)15(3)7-10(16)14-9-5-6-9/h8-9,11H,4-7,13H2,1-3H3,(H,14,16)/t8?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide?
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 61173174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).