(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid

C14H22N2O4 — CID 61143196

IUPAC(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H22N2O4/c15-12(17)4-3-11(14(19)20)16-13(18)7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H2,15,17)(H,16,18)(H,19,20)/t8?,9?,10?,11-/m0/s1
InChIKeyQQGYLLFDHICSTN-QUBJWBRDSA-N
MW282.34 g/mol
LogP0.65
Rot. Bonds7

About (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 61143196) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
PubChem CID61143196
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H22N2O4/c15-12(17)4-3-11(14(19)20)16-13(18)7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H2,15,17)(H,16,18)(H,19,20)/t8?,9?,10?,11-/m0/s1
InChIKeyQQGYLLFDHICSTN-QUBJWBRDSA-N
XLogP0.65
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 107830054
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
(2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
CID 63682389
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975
5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
CID 61156701
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547875
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
CID 55137320
4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid
CID 119201254
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid (CID 61143196) is (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)CC1CC2CCC1C2)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is QQGYLLFDHICSTN-QUBJWBRDSA-N. The full InChI is InChI=1S/C14H22N2O4/c15-12(17)4-3-11(14(19)20)16-13(18)7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H2,15,17)(H,16,18)(H,19,20)/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61143196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).