(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide

C14H30N4O2S2 — CID 142641960

IUPAC(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NC(C)(C)C
InChIInChI=1S/C14H30N4O2S2/c1-13(2,3)17-11(19)9(15)7-21-22-8-10(16)12(20)18-14(4,5)6/h9-10H,7-8,15-16H2,1-6H3,(H,17,19)(H,18,20)/t9-,10-/m0/s1
InChIKeyVTGSRQPARLZZSQ-UWVGGRQHSA-N
MW350.55 g/mol
LogP0.85
Rot. Bonds7

About (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide

(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide (PubChem CID 142641960) has the molecular formula C14H30N4O2S2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
PubChem CID142641960
Molecular FormulaC14H30N4O2S2
Molecular Weight350.55 g/mol
Exact Mass350.18
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NC(C)(C)C
InChIInChI=1S/C14H30N4O2S2/c1-13(2,3)17-11(19)9(15)7-21-22-8-10(16)12(20)18-14(4,5)6/h9-10H,7-8,15-16H2,1-6H3,(H,17,19)(H,18,20)/t9-,10-/m0/s1
InChIKeyVTGSRQPARLZZSQ-UWVGGRQHSA-N
XLogP0.85
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 50.85
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

(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
(2S)-2,4-diamino-N-tert-butylbutanamide
CID 164800248
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
CID 164800240
(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
CID 142641958
3-(2-amino-2-carboxyethyl)sulfanyl-4-(tert-butylamino)-4-oxobutanoic acid
CID 129103519
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 14043
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide
CID 66234392
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
CID 87090924
CID 87090924
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide?
The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide (CID 142641960) is (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide?
The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide is CC(C)(C)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide?
The InChIKey is VTGSRQPARLZZSQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H30N4O2S2/c1-13(2,3)17-11(19)9(15)7-21-22-8-10(16)12(20)18-14(4,5)6/h9-10H,7-8,15-16H2,1-6H3,(H,17,19)(H,18,20)/t9-,10-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide?
(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide has a molecular weight of 350.55 g/mol, XLogP of 0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide is sourced from PubChem (CID 142641960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).