(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide

C10H22N4O2S2 — CID 18631474

IUPAC(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCSSCCNC(=O)[C@H](C)N
InChIInChI=1S/C10H22N4O2S2/c1-7(11)9(15)13-3-5-17-18-6-4-14-10(16)8(2)12/h7-8H,3-6,11-12H2,1-2H3,(H,13,15)(H,14,16)/t7-,8-/m0/s1
InChIKeyYOMIHWBVICMMHW-YUMQZZPRSA-N
MW294.45 g/mol
LogP-0.71
Rot. Bonds9

About (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide

(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide (PubChem CID 18631474) has the molecular formula C10H22N4O2S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
PubChem CID18631474
Molecular FormulaC10H22N4O2S2
Molecular Weight294.45 g/mol
Exact Mass294.12
IUPAC Name(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCSSCCNC(=O)[C@H](C)N
InChIInChI=1S/C10H22N4O2S2/c1-7(11)9(15)13-3-5-17-18-6-4-14-10(16)8(2)12/h7-8H,3-6,11-12H2,1-2H3,(H,13,15)(H,14,16)/t7-,8-/m0/s1
InChIKeyYOMIHWBVICMMHW-YUMQZZPRSA-N
XLogP-0.71
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide
CID 162257220
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
(2S)-N-(2-acetamidoethylsulfanylmethyl)-2-aminopropanamide
CID 167237972
2-amino-N-propylpropanamide;ethane
CID 142837247
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
(2S)-2-amino-N-(2-chloroethyl)propanamide
CID 55302965
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide (CID 18631474) is (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide is C[C@H](N)C(=O)NCCSSCCNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide?
The InChIKey is YOMIHWBVICMMHW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H22N4O2S2/c1-7(11)9(15)13-3-5-17-18-6-4-14-10(16)8(2)12/h7-8H,3-6,11-12H2,1-2H3,(H,13,15)(H,14,16)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide?
(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide has a molecular weight of 294.45 g/mol, XLogP of -0.71, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide is sourced from PubChem (CID 18631474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).