2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide

C10H20N4O3S — CID 123492581

IUPAC2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide
SMILESCCC(NC(=O)CN)C(=O)NCC(=O)NCCS
InChIInChI=1S/C10H20N4O3S/c1-2-7(14-8(15)5-11)10(17)13-6-9(16)12-3-4-18/h7,18H,2-6,11H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyYXVAYOIWDJYDAF-UHFFFAOYSA-N
MW276.36 g/mol
LogP-2.00
Rot. Bonds8

About 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide

2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide (PubChem CID 123492581) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide
PubChem CID123492581
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide
SMILESCCC(NC(=O)CN)C(=O)NCC(=O)NCCS
InChIInChI=1S/C10H20N4O3S/c1-2-7(14-8(15)5-11)10(17)13-6-9(16)12-3-4-18/h7,18H,2-6,11H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyYXVAYOIWDJYDAF-UHFFFAOYSA-N
XLogP-2.00
TPSA113.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 134824593
6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide
CID 118327264
2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 71358180
(2R)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-sulfanylpropanoic acid
CID 175756908
2-[(2-aminoacetyl)amino]-N-(2-hydrazinyl-2-oxoethyl)-4-methylpentanamide
CID 178118398
2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 175691421
2-[[(2S)-2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 10025121
(2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide
CID 134817549
N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide
CID 131862944
(2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide
CID 177434550
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoic acid
CID 18486486
2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
CID 123621457

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide (CID 123492581) is 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide is CCC(NC(=O)CN)C(=O)NCC(=O)NCCS.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide?
The InChIKey is YXVAYOIWDJYDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-2-7(14-8(15)5-11)10(17)13-6-9(16)12-3-4-18/h7,18H,2-6,11H2,1H3,(H,12,16)(H,13,17)(H,14,15).
What are the key properties of 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide?
2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide has a molecular weight of 276.36 g/mol, XLogP of -2.00, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide is sourced from PubChem (CID 123492581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).