(2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide

C13H26N4O4 — CID 138721411

IUPAC(2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide
SMILESC=C(CC[C@H](N)C(=O)NC)NCCOCCOCC(N)=O
InChIInChI=1S/C13H26N4O4/c1-10(3-4-11(14)13(19)16-2)17-5-6-20-7-8-21-9-12(15)18/h11,17H,1,3-9,14H2,2H3,(H2,15,18)(H,16,19)/t11-/m0/s1
InChIKeyIZDYQFBUVREEOL-NSHDSACASA-N
MW302.38 g/mol
LogP-1.54
Rot. Bonds13

About (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide

(2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide (PubChem CID 138721411) has the molecular formula C13H26N4O4 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide.

Molecular Properties

Compound Name(2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide
PubChem CID138721411
Molecular FormulaC13H26N4O4
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name(2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide
SMILESC=C(CC[C@H](N)C(=O)NC)NCCOCCOCC(N)=O
InChIInChI=1S/C13H26N4O4/c1-10(3-4-11(14)13(19)16-2)17-5-6-20-7-8-21-9-12(15)18/h11,17H,1,3-9,14H2,2H3,(H2,15,18)(H,16,19)/t11-/m0/s1
InChIKeyIZDYQFBUVREEOL-NSHDSACASA-N
XLogP-1.54
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-methylsulfanylbutanamide
CID 106236591
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64888561
(2S)-2-amino-N,N'-bis[2-[2-(butanoylamino)ethoxy]ethyl]pentanediamide
CID 168852497
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate
CID 175504926
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
CID 11160923
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide?
The IUPAC name of (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide (CID 138721411) is (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide.
What is the SMILES notation for (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide?
The canonical SMILES for (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide is C=C(CC[C@H](N)C(=O)NC)NCCOCCOCC(N)=O.
What is the InChIKey of (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide?
The InChIKey is IZDYQFBUVREEOL-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N4O4/c1-10(3-4-11(14)13(19)16-2)17-5-6-20-7-8-21-9-12(15)18/h11,17H,1,3-9,14H2,2H3,(H2,15,18)(H,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide?
(2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide has a molecular weight of 302.38 g/mol, XLogP of -1.54, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-N-methylhex-5-enamide is sourced from PubChem (CID 138721411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).