(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide

C11H23N3O2 — CID 61154043

IUPAC(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)5-9(12)11(16)14(8(3)4)6-10(13)15/h7-9H,5-6,12H2,1-4H3,(H2,13,15)/t9-/m0/s1
InChIKeyJGRQVTYFFWVZTO-VIFPVBQESA-N
MW229.32 g/mol
LogP0.08
Rot. Bonds6

About (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide

(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide (PubChem CID 61154043) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide
PubChem CID61154043
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)5-9(12)11(16)14(8(3)4)6-10(13)15/h7-9H,5-6,12H2,1-4H3,(H2,13,15)/t9-/m0/s1
InChIKeyJGRQVTYFFWVZTO-VIFPVBQESA-N
XLogP0.08
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
2-amino-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylpentanamide
CID 43579455
(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
CID 104903331
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid
CID 175582504
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-methylpentanamide
CID 103188616
(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
CID 54999112
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 104902620

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide (CID 61154043) is (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide is CC(C)C[C@H](N)C(=O)N(CC(N)=O)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide?
The InChIKey is JGRQVTYFFWVZTO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O2/c1-7(2)5-9(12)11(16)14(8(3)4)6-10(13)15/h7-9H,5-6,12H2,1-4H3,(H2,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide?
(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 0.08, 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-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 61154043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).