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

C12H26N4O4 — CID 15459454

IUPAC(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCOCCOCCNC(=O)[C@H](C)N
InChIInChI=1S/C12H26N4O4/c1-9(13)11(17)15-3-5-19-7-8-20-6-4-16-12(18)10(2)14/h9-10H,3-8,13-14H2,1-2H3,(H,15,17)(H,16,18)/t9-,10-/m0/s1
InChIKeyBSWIKDVPHLMOQD-UWVGGRQHSA-N
MW290.36 g/mol
LogP-2.05
Rot. Bonds11

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

(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 15459454) has the molecular formula C12H26N4O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
PubChem CID15459454
Molecular FormulaC12H26N4O4
Molecular Weight290.36 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCOCCOCCNC(=O)[C@H](C)N
InChIInChI=1S/C12H26N4O4/c1-9(13)11(17)15-3-5-19-7-8-20-6-4-16-12(18)10(2)14/h9-10H,3-8,13-14H2,1-2H3,(H,15,17)(H,16,18)/t9-,10-/m0/s1
InChIKeyBSWIKDVPHLMOQD-UWVGGRQHSA-N
XLogP-2.05
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-2.05
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

(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide (CID 15459454) is (2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide is C[C@H](N)C(=O)NCCOCCOCCNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is BSWIKDVPHLMOQD-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26N4O4/c1-9(13)11(17)15-3-5-19-7-8-20-6-4-16-12(18)10(2)14/h9-10H,3-8,13-14H2,1-2H3,(H,15,17)(H,16,18)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide?
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 290.36 g/mol, XLogP of -2.05, 11 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-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 15459454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).