(4S)-4-(3-aminopropanoylamino)-5-oxohexanamide

C9H17N3O3 — CID 88955415

IUPAC(4S)-4-(3-aminopropanoylamino)-5-oxohexanamide
SMILESCC(=O)[C@H](CCC(N)=O)NC(=O)CCN
InChIInChI=1S/C9H17N3O3/c1-6(13)7(2-3-8(11)14)12-9(15)4-5-10/h7H,2-5,10H2,1H3,(H2,11,14)(H,12,15)/t7-/m0/s1
InChIKeyHEFJRBUMJXAAMS-ZETCQYMHSA-N
MW215.25 g/mol
LogP-1.33
Rot. Bonds7

About (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide

(4S)-4-(3-aminopropanoylamino)-5-oxohexanamide (PubChem CID 88955415) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide.

Molecular Properties

Compound Name(4S)-4-(3-aminopropanoylamino)-5-oxohexanamide
PubChem CID88955415
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(4S)-4-(3-aminopropanoylamino)-5-oxohexanamide
SMILESCC(=O)[C@H](CCC(N)=O)NC(=O)CCN
InChIInChI=1S/C9H17N3O3/c1-6(13)7(2-3-8(11)14)12-9(15)4-5-10/h7H,2-5,10H2,1H3,(H2,11,14)(H,12,15)/t7-/m0/s1
InChIKeyHEFJRBUMJXAAMS-ZETCQYMHSA-N
XLogP-1.33
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-4-oxobutanoic acid
CID 121429263
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158
5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid
CID 65292107
2-[(2-sulfanylacetyl)amino]pentanediamide
CID 172744013
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide
CID 153239973
5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid
CID 174862072

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide?
The IUPAC name of (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide (CID 88955415) is (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide.
What is the SMILES notation for (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide?
The canonical SMILES for (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide is CC(=O)[C@H](CCC(N)=O)NC(=O)CCN.
What is the InChIKey of (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide?
The InChIKey is HEFJRBUMJXAAMS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(13)7(2-3-8(11)14)12-9(15)4-5-10/h7H,2-5,10H2,1H3,(H2,11,14)(H,12,15)/t7-/m0/s1.
What are the key properties of (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide?
(4S)-4-(3-aminopropanoylamino)-5-oxohexanamide has a molecular weight of 215.25 g/mol, XLogP of -1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-aminopropanoylamino)-5-oxohexanamide is sourced from PubChem (CID 88955415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).