(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide

C11H21N5O2 — CID 145488244

IUPAC(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide
SMILESC/N=C(/C=C(/C)N)C(=O)N[C@@H](CCCN)C(N)=O
InChIInChI=1S/C11H21N5O2/c1-7(13)6-9(15-2)11(18)16-8(10(14)17)4-3-5-12/h6,8H,3-5,12-13H2,1-2H3,(H2,14,17)(H,16,18)/b7-6-,15-9-/t8-/m0/s1
InChIKeyDBXLHECAZGXRMZ-IWVNSZSWSA-N
MW255.32 g/mol
LogP-1.37
Rot. Bonds7

About (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide

(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide (PubChem CID 145488244) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide
PubChem CID145488244
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide
SMILESC/N=C(/C=C(/C)N)C(=O)N[C@@H](CCCN)C(N)=O
InChIInChI=1S/C11H21N5O2/c1-7(13)6-9(15-2)11(18)16-8(10(14)17)4-3-5-12/h6,8H,3-5,12-13H2,1-2H3,(H2,14,17)(H,16,18)/b7-6-,15-9-/t8-/m0/s1
InChIKeyDBXLHECAZGXRMZ-IWVNSZSWSA-N
XLogP-1.37
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methylpentanamide
CID 56871875
2-(2-Iminopent-3-enoylamino)pentanediamide
CID 123237024
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide
CID 135173846
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane
CID 142390396
N-[(E)-4-iminopent-2-en-3-yl]-N-methyl-2-(propan-2-ylamino)butanamide
CID 144211842
(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane
CID 145488365
(2S)-N-(2-amino-2-oxoethyl)-5-[[(Z)-but-2-en-2-yl]amino]-2-(methylamino)pentanamide
CID 153354640
(2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide
CID 155188210
N-[(2S)-1,5-dioxopentan-2-yl]-2-ethylimino-4-(methylamino)pent-3-enamide
CID 173486664
N-cyclohexyl-2-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}butanamide
CID 50980300
(4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56706783
(4S)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56708410

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide?
The IUPAC name of (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide (CID 145488244) is (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide.
What is the SMILES notation for (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide?
The canonical SMILES for (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide is C/N=C(/C=C(/C)N)C(=O)N[C@@H](CCCN)C(N)=O.
What is the InChIKey of (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide?
The InChIKey is DBXLHECAZGXRMZ-IWVNSZSWSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-7(13)6-9(15-2)11(18)16-8(10(14)17)4-3-5-12/h6,8H,3-5,12-13H2,1-2H3,(H2,14,17)(H,16,18)/b7-6-,15-9-/t8-/m0/s1.
What are the key properties of (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide?
(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide has a molecular weight of 255.32 g/mol, XLogP of -1.37, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide is sourced from PubChem (CID 145488244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).