2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide

C12H23N3O2 — CID 89028843

IUPAC2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide
SMILESC=C(NCC(=O)NCC(C)=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H23N3O2/c1-8(2)5-11(13)10(4)14-7-12(17)15-6-9(3)16/h8,11,14H,4-7,13H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyQIXNUEAOGKVWKW-NSHDSACASA-N
MW241.33 g/mol
LogP0.17
Rot. Bonds8

About 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide

2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide (PubChem CID 89028843) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide
PubChem CID89028843
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide
SMILESC=C(NCC(=O)NCC(C)=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H23N3O2/c1-8(2)5-11(13)10(4)14-7-12(17)15-6-9(3)16/h8,11,14H,4-7,13H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyQIXNUEAOGKVWKW-NSHDSACASA-N
XLogP0.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate
CID 143114753
2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetic acid
CID 175827009
3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide
CID 91024658
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
CID 123621457
2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
CID 144656113
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
2-amino-N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-4-methylpentanamide
CID 71336548
(2S)-2,3-dimethyl-N-(2-oxopropyl)but-3-enamide
CID 174267873
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660
2-amino-N-[2-[[2-[[2-[[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 121440614
2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
CID 175101609

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide (CID 89028843) is 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide is C=C(NCC(=O)NCC(C)=O)[C@@H](N)CC(C)C.
What is the InChIKey of 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide?
The InChIKey is QIXNUEAOGKVWKW-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)5-11(13)10(4)14-7-12(17)15-6-9(3)16/h8,11,14H,4-7,13H2,1-3H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide?
2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 89028843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).