(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide

C10H21N3O2 — CID 61154394

IUPAC(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
SMILESCCNC(=O)C(C)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H21N3O2/c1-5-12-9(14)7(4)13-10(15)8(11)6(2)3/h6-8H,5,11H2,1-4H3,(H,12,14)(H,13,15)/t7?,8-/m0/s1
InChIKeyODQZLZUYJFFIPC-MQWKRIRWSA-N
MW215.30 g/mol
LogP-0.39
Rot. Bonds5

About (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide

(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide (PubChem CID 61154394) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
PubChem CID61154394
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
SMILESCCNC(=O)C(C)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H21N3O2/c1-5-12-9(14)7(4)13-10(15)8(11)6(2)3/h6-8H,5,11H2,1-4H3,(H,12,14)(H,13,15)/t7?,8-/m0/s1
InChIKeyODQZLZUYJFFIPC-MQWKRIRWSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 170549773
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]butanedioic acid
CID 87647599
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
CID 103831075
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]hexanoic acid
CID 54546738
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62360115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide (CID 61154394) is (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide is CCNC(=O)C(C)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The InChIKey is ODQZLZUYJFFIPC-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-12-9(14)7(4)13-10(15)8(11)6(2)3/h6-8H,5,11H2,1-4H3,(H,12,14)(H,13,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide has a molecular weight of 215.30 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 61154394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).