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

C14H23N3O4 — CID 63682389

IUPAC(2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)NCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23N3O4/c15-12(18)4-3-11(13(19)20)17-14(21)16-7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t8?,9?,10?,11-/m0/s1
InChIKeyMPPCROMSXIDDDX-QUBJWBRDSA-N
MW297.36 g/mol
LogP0.44
Rot. Bonds7

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

(2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 63682389) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID63682389
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name(2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)NCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23N3O4/c15-12(18)4-3-11(13(19)20)17-14(21)16-7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t8?,9?,10?,11-/m0/s1
InChIKeyMPPCROMSXIDDDX-QUBJWBRDSA-N
XLogP0.44
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 61143196
(2R)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 107830054
(2R)-5-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106021134
(2R)-5-amino-2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830775
5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
CID 113363508
4-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007519
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
CID 65226271
(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 61205667
4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
CID 64888968
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid (CID 63682389) is (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)NCC1CC2CCC1C2)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is MPPCROMSXIDDDX-QUBJWBRDSA-N. The full InChI is InChI=1S/C14H23N3O4/c15-12(18)4-3-11(13(19)20)17-14(21)16-7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 297.36 g/mol, XLogP of 0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 63682389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).