(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide

C11H24N4O3 — CID 445819

IUPAC(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide
SMILESC[C@@H](C(=O)N[C@@H](CCCCN)CO)NC(=O)CN
InChIInChI=1S/C11H24N4O3/c1-8(14-10(17)6-13)11(18)15-9(7-16)4-2-3-5-12/h8-9,16H,2-7,12-13H2,1H3,(H,14,17)(H,15,18)/t8-,9-/m0/s1
InChIKeyWJLWLNLETIIGJV-IUCAKERBSA-N
MW260.33 g/mol
LogP-2.10
Rot. Bonds9

About (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide

(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide (PubChem CID 445819) has the molecular formula C11H24N4O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide
PubChem CID445819
Molecular FormulaC11H24N4O3
Molecular Weight260.33 g/mol
Exact Mass260.18
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide
SMILESC[C@@H](C(=O)N[C@@H](CCCCN)CO)NC(=O)CN
InChIInChI=1S/C11H24N4O3/c1-8(14-10(17)6-13)11(18)15-9(7-16)4-2-3-5-12/h8-9,16H,2-7,12-13H2,1H3,(H,14,17)(H,15,18)/t8-,9-/m0/s1
InChIKeyWJLWLNLETIIGJV-IUCAKERBSA-N
XLogP-2.10
TPSA130.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity261

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ST040666
CID 469965
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-(6-hydroxyhexyl)pentanediamide
CID 10519490
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N-(6-hydroxyhexyl)pentanediamide
CID 10757793
(2S)-2-[[(2R)-2-aminopropanoyl]amino]-N-(6-hydroxyhexyl)pentanediamide
CID 10805370
(3R)-N-[(5S)-6-hydroxy-5-[[(3R)-3-isocyanobutanoyl]amino]hexyl]-3-isocyanobutanamide
CID 137333764
2-[1-(hydroxymethyl)propylamino]-N-sec-butyl-acetamide
CID 469963
N-cyclohexyl-N'-(2-hydroxyethyl)ethanediamide
CID 2059056
2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 75506531
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 137986908
Ala-Ser-Lys
CID 11162509
Ser-Ala-Lys
CID 145457656
N-[(2S)-1-hydroxyhexan-2-yl]acetamide
CID 10261363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide (CID 445819) is (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide is C[C@@H](C(=O)N[C@@H](CCCCN)CO)NC(=O)CN.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide?
The InChIKey is WJLWLNLETIIGJV-IUCAKERBSA-N. The full InChI is InChI=1S/C11H24N4O3/c1-8(14-10(17)6-13)11(18)15-9(7-16)4-2-3-5-12/h8-9,16H,2-7,12-13H2,1H3,(H,14,17)(H,15,18)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide?
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide has a molecular weight of 260.33 g/mol, XLogP of -2.10, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-hydroxyhexan-2-yl]propanamide is sourced from PubChem (CID 445819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).