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

C8H20Cl2N4O2 — CID 18651575

IUPAC(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
SMILESC[C@H](N)C(=O)NCCNC(=O)[C@H](C)N.Cl.Cl
InChIInChI=1S/C8H18N4O2.2ClH/c1-5(9)7(13)11-3-4-12-8(14)6(2)10;;/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14);2*1H/t5-,6-;;/m0../s1
InChIKeyKUFFRPPJUCDULB-USPAICOZSA-N
MW275.18 g/mol
LogP-1.24
Rot. Bonds5

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

(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride (PubChem CID 18651575) has the molecular formula C8H20Cl2N4O2 and a molecular weight of 275.18 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
PubChem CID18651575
Molecular FormulaC8H20Cl2N4O2
Molecular Weight275.18 g/mol
Exact Mass274.10
IUPAC Name(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
SMILESC[C@H](N)C(=O)NCCNC(=O)[C@H](C)N.Cl.Cl
InChIInChI=1S/C8H18N4O2.2ClH/c1-5(9)7(13)11-3-4-12-8(14)6(2)10;;/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14);2*1H/t5-,6-;;/m0../s1
InChIKeyKUFFRPPJUCDULB-USPAICOZSA-N
XLogP-1.24
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
2-amino-N-propylpropanamide;ethane
CID 142837247
(2S)-2-amino-N-(2-chloroethyl)propanamide
CID 55302965
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 18631474
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride (CID 18651575) is (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride is C[C@H](N)C(=O)NCCNC(=O)[C@H](C)N.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride?
The InChIKey is KUFFRPPJUCDULB-USPAICOZSA-N. The full InChI is InChI=1S/C8H18N4O2.2ClH/c1-5(9)7(13)11-3-4-12-8(14)6(2)10;;/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14);2*1H/t5-,6-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride?
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of -1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 18651575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).